SCHEMBL10373749

SCHEMBL10373749

c1ccc(C2=Nc3cnccc3Nc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CDK2 P24941 4/20 0.45
▸ CCNE2 O96020 2/20 0.45
▸ CCNE1 P24864 2/20 0.45
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ CHRM1 P11229 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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 0.88 MAPT (0.52) GAAMAPTLMNACDK2CCNE2
SCHEMBL20067127 0.84 LMNA (0.71) GAAMAPTLMNACDK2CCNE2
SCHEMBL2506350 0.78 MAPT (0.42) GAAMAPTLMNACDK2CCNE2
SCHEMBL10374520 0.77 CDK2 (0.44) GAAMAPTLMNACDK2CCNE2
SCHEMBL5443457 0.75 CCNE2 (0.60) GAAMAPTLMNACDK2CCNE2
SCHEMBL3408802 0.74 DRD1 (0.54) GAAMAPTLMNACDK2CCNE2
SCHEMBL10372389 0.73 L3MBTL1 (0.40) GAAMAPTCDK2IDO1L3MBTL1
SCHEMBL10371143 0.73 LMNA (0.52) GAAMAPTLMNACDK2CCNE2
SCHEMBL10370831 0.72 CHRM1 (0.50) GAAMAPTLMNACDK2CCNE2
SCHEMBL10371458 0.72 CCNE2 (0.47) GAAMAPTLMNACDK2CCNE2

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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