SCHEMBL6196115

SCHEMBL6196115

CC(N=C=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.40
NOS1 P29475 2/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL443529 0.82 MIF (0.46) CYP3A4
SCHEMBL12371183 0.80 TSHR (0.48) MAPTL3MBTL1CYP3A4TSHRTDP1
SCHEMBL21304587 0.77 MIF (0.42) MAPTMAPK1ALDH1A1KDM4EHTT
SCHEMBL22279374 0.77 MIF (0.42) MAPTMAPK1ALDH1A1KDM4EHTT
SCHEMBL2945894 0.76 MAPT (0.49) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL13799939 0.75 CHRNA7 (0.41) TSHRTDP1ACHEALDH1A1KMT2A
SCHEMBL955933 0.75 CHRNA7 (0.41) TSHRTDP1ACHEALDH1A1KMT2A
SCHEMBL1755331 0.75 MIF (0.41)
SCHEMBL254528 0.74 ALDH1A1 (0.56) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL19435775 0.74 PDE2A (0.51) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107022358-B Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer, and diamine JSR株式会社 2021-09-07 CN disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO disclosed