SCHEMBL8392811

SCHEMBL8392811

CCOC(=O)Nc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NUDT1 P36639 1/20 0.42
FFAR2 O15552 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
PTGES O14684 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGDS O60760 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FDPS P14324 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16814871 0.87 TUBB4A (0.46) KMT2AFFAR2SMN1; SMN2POLBALDH1A1
SCHEMBL3639659 0.82 HPGDS (0.46) CYP1A2CYP2C9CYP2C19FFAR2SMN1; SMN2
SCHEMBL8971167 0.80 NUDT1 (0.39) NUDT1FFAR2SMN1; SMN2PTGESALDH1A1
SCHEMBL5204490 0.80 FFAR2 (0.39) FFAR2POLBPTGESALDH1A1HPGDS
SCHEMBL17097345 0.79 THRB (0.41) FFAR2KDM4EPOLBPTGESALDH1A1
SCHEMBL2888449 0.77 FFAR2 (0.44) FFAR2PTGESHPGDSFDPS
SCHEMBL2698206 0.77 ATR (0.43) FFAR2SMN1; SMN2PTGESHPGDSFDPS
SCHEMBL170782 0.76
SCHEMBL31169779 0.76 HPGDS (0.41) FFAR2KDM4EPTGESALDH1A1HPGDS
SCHEMBL1711898 0.76 FDPS (0.41) FFAR2KDM4EPTGESALDH1A1HPGDS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113604148-B Nano SiO2Modified quadruple hydrogen bond type self-repairing polyurethane coating and preparation method thereof 深圳市博仲实业有限公司 2022-06-07 CN claimed
CN-113604148-A Nano SiO2Modified quadruple hydrogen bond type self-repairing polyurethane coating and preparation method thereof 深圳市博仲实业有限公司 2021-11-05 CN claimed
CN-113604148-B Nano SiO2Modified quadruple hydrogen bond type self-repairing polyurethane coating and preparation method thereof 深圳市博仲实业有限公司 2022-06-07 CN disclosed
CN-113604148-B Nano SiO2Modified quadruple hydrogen bond type self-repairing polyurethane coating and preparation method thereof 深圳市博仲实业有限公司 2022-06-07 CN disclosed
CN-113604148-A Nano SiO2Modified quadruple hydrogen bond type self-repairing polyurethane coating and preparation method thereof 深圳市博仲实业有限公司 2021-11-05 CN disclosed
CN-113604148-A Nano SiO2Modified quadruple hydrogen bond type self-repairing polyurethane coating and preparation method thereof 深圳市博仲实业有限公司 2021-11-05 CN disclosed
WO-2017158480-A1 NOVEL POLYSACCHARIDE-PROTEIN CONJUGATES AND PROCESS TO OBTAIN THEREOF MSD WELLCOME TRUST HILLEMAN LABORATORIES PVT. LTD. (IN) 2017-09-21 WO disclosed
EP-0672696-B1 Low odor amine catalysts for polyurethane flexible slabstock foams based on polyester polyols AIR PROD & CHEM (US) 1999-05-19 EP disclosed
US-5591780-A FOAMING POLYESTERURETHANE COPOLYMERS WITH IMIDAZOLE CATALYSTS AIR PRODUCTS AND CHEMICALS, INC. (US) 1997-01-07 US disclosed
EP-0672696-A1 Low odor amine catalysts for polyurethane flexible slabstock foams based on polyester polyols AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-09-20 EP disclosed
US-5371197-A Protein-dimeric polysaccharide conjugate vaccine MERCK & CO., INC. (US) 1994-12-06 US disclosed
EP-0467714-A1 The class II protein of the outer membrane of neisseria meningitidis MERCK & CO. INC. (US) 1992-01-22 EP disclosed
EP-0161188-B1 COVALENTLY-MODIFIED BACTERIAL POLYSACCHARIDES, STABLE COVALENT CONJUGATES OF SUCH POLYSACCHARIDES AND IMMUNOGENIC PROTEINS WITH BIGENERIC SPACERS, AND METHODS OF PREPARING SUCH POLYSACCHARIDES AND CONJUGATES AND OF CONFIRMING COVALENCY MERCK & CO. INC. (US) 1991-04-03 EP disclosed
US-4882317-A SOLUBILIZATION MERCK & CO., INC. (US) 1989-11-21 US disclosed
US-4830852-A COVALENT-MODIFICATION AND HAVING A COUPLING SPACER CONTAINING A THIOETHER; VACCINES; CHEMICAL STABILITY; INFANT PROTECTION MERCK & CO INC. (US) 1989-05-16 US disclosed
US-4725680-A AMINATION, CLEAVAGE, NEUTRALIZATION SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1988-02-16 US disclosed
US-4695624-A Covalently-modified polyanionic bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency MERCK & CO., INC. (US) 1987-09-22 US disclosed
EP-0186576-A2 Covalently-modified neutral bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins, and methods of preparing such polysaccharides and conjugates MERCK & CO. INC. (US) 1986-07-02 EP disclosed
EP-0161188-A2 Covalently-modified bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency MERCK & CO. INC. (US) 1985-11-13 EP disclosed
US-4386211-A Anti-ulcer urea compounds G. D. SEARLE & CO. (US) 1983-05-31 US disclosed