SCHEMBL6902097

SCHEMBL6902097

CCc1cccc(CC)c1NC(=O)C(C)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
HTT P42858 3/20 0.48
CYP2C19 P33261 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CACNA1C Q13936 2/20 0.46
SCN5A Q14524 2/20 0.46
NLRP3 Q96P20 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL27402352 0.90 ATM (0.52) HTTALOX15TDP1ALDH1A1NLRP3
SCHEMBL14521753 0.87 ANPEP (0.56) ANPEPHTTCYP2C19ALOX15TSHR
SCHEMBL6544554 0.83 ANPEP (0.47) ANPEPHTTCYP2C19ALOX15TSHR
SCHEMBL9614032 0.83 ANPEP (0.47) ANPEPHTTCYP2C19ALOX15TSHR
SCHEMBL11415356 0.82 ANPEP (0.52) ANPEPHTTCYP2C19ALOX15TSHR
SCHEMBL9546432 0.82 ANPEP (0.52) ANPEPHTTCYP2C19ALOX15TSHR
Hydrochloric Acid SCHEMBL8974932 0.81 ANPEP (0.51) ANPEPHTTCYP2C19ALOX15TSHR
SCHEMBL10584522 0.81 L3MBTL1 (0.58) HTTCYP2C19ALDH1A1L3MBTL1CYP3A4
SCHEMBL9761567 0.79 NLRP3 (0.44) ANPEPHTTCYP2C19ALOX15TSHR
SCHEMBL10950278 0.78 NLRP3 (0.54) HTTALOX15TDP1ALDH1A1NLRP3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003000058-A1 SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-01-03 WO claimed
EP-3898781-A1 SILICONE-POLYCARBONATE COPOLYMER, SEALANTS COMPRISING SAME, AND RELATED METHODS Dow Silicones Corporation (US) 2021-10-27 EP disclosed
EP-3898779-A1 SILICONE-POLYESTER COPOLYMER, SEALANTS COMPRISING SAME, AND RELATED METHODS Dow Silicones Corporation (US) 2021-10-27 EP disclosed
WO-2020131706-A1 SILICONE-POLYCARBONATE COPOLYMER, SEALANTS COMPRISING SAME, AND RELATED METHODS DOW SILICONES CORPORATION (US) 2020-06-25 WO disclosed
WO-2020131705-A1 SILICONE-POLYESTER COPOLYMER, SEALANTS COMPRISING SAME, AND RELATED METHODS DOW SILICONES CORPORATION (US) 2020-06-25 WO disclosed
EP-1423005-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP disclosed
WO-2003020033-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-13 WO disclosed
CN-1091349-C N-(heterocycloformyl) sulfonamide herbicide SHENYANG INST OF CHEMICAL ENGI (CN) 2002-09-25 CN disclosed
CN-1274528-A N-(heterocycloformyl) sulfonamide herbicide SHENYANG INST OF CHEMICAL ENGI (CN) 2000-11-29 CN disclosed
CN-1173282-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM & HAAS (US) 1998-02-18 CN disclosed
CN-1036564-C Herbicidal glutarmides ROHM & HAAS (US) 1997-12-03 CN disclosed
CN-1133120-A Combination containing phosphine sulfonate ester herbicide and dichloro acetamide safety agent ROHM & HAAS (US) 1996-10-16 CN disclosed