SCHEMBL10370243

SCHEMBL10370243

CCc1ccc(C(=O)c2ccccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
GAA P10253 2/20 0.65
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 5/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
PLK1 P53350 1/20 0.49
CFTR P13569 1/20 0.49
HDAC3 O15379 1/20 0.47
NCOR1 O75376 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ESRRA P11474 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL8374908 0.85 MAPT (0.87) MAPTGAAALDH1A1HSD17B10CA1
SCHEMBL27240657 0.84 GAA (0.49) MAPTGAAALDH1A1HSD17B10CA1
SCHEMBL51624 0.83 PLK1 (0.49) MAPTGAAALDH1A1HSD17B10PLK1
Butane SCHEMBL3285893 0.82 MAPT (0.81) MAPTGAAALDH1A1HSD17B10CA1
SCHEMBL11613215 0.82 ALDH1A1 (0.52) MAPTGAAALDH1A1PLK1HPGD
SCHEMBL5347610 0.82 MAPT (0.59) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL10395912 0.81 MAPT (0.58) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL4844927 0.81 MAPT (0.70) MAPTGAAALDH1A1HSD17B10PLK1
SCHEMBL4849572 0.81 RECQL (0.53) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL18928199 0.81 LIG1 (0.65) MAPTGAAALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
EP-0260924-A1 Antiinflammatory derivatives of 3-aryl-2,1-benzisoxazole A.H. ROBINS COMPANY, INCORPORATED (US) 1988-03-23 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed