SCHEMBL10370831

SCHEMBL10370831

Cc1ccc2c(c1)C(c1ccccc1)=Nc1ccncc1N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.50
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CCNE2 O96020 3/20 0.45
▸ CCNE1 P24864 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ DRD2 P14416 2/20 0.43
▸ DRD1 P21728 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ROS1 P08922 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TGM2 P21980 1/20 0.37
▸ MAP2K4 P45985 1/20 0.36

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
SCHEMBL10370209 0.84 MAPT (0.52) CHRM1MAPTCCNE2CCNE1CDK2
SCHEMBL10370968 0.77 DRD4 (0.57) CHRM1RAB9AMAPTNPC1CCNE2
SCHEMBL10374520 0.74 CDK2 (0.44) CHRM1MAPTCCNE2CCNE1CDK2
SCHEMBL10373749 0.72 GAA (0.52) CHRM1MAPTCCNE2CCNE1CDK2
SCHEMBL12912968 0.72 MAPT (0.58) CHRM1RAB9AMAPTNPC1LMNA
SCHEMBL20067127 0.68 LMNA (0.71) CHRM1RAB9AMAPTCCNE2CCNE1
SCHEMBL17321605 0.68 IDO1 (0.46) RAB9AMAPTNPC1LMNAGAA
SCHEMBL17321611 0.68 IDO1 (0.46) RAB9AMAPTNPC1LMNAGAA
SCHEMBL11821347 0.67 CHRM1 (0.71) CHRM1LMNAALDH1A1KMT2ANPSR1
SCHEMBL7323866 0.67 CHRM1 (1.00) CHRM1LMNASMN1; SMN2ALDH1A1NPSR1

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
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
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 — — EP disclosed
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