SCHEMBL27360696

SCHEMBL27360696

c1ccc(-n2ccnc2-c2ccc[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
CYP1A2 P05177 5/20 0.39
CYP2D6 P10635 5/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
FDPS P14324 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
AKT1 P31749 1/20 0.36
ALOX15B O15296 3/20 0.36
GAA P10253 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1345960 0.77 SCN4A (0.47) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL5667704 0.77 NISCH (0.50) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL528245 0.74 MAPK9 (0.54) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
Benzene SCHEMBL27839441 0.74 MAPK9 (0.54) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL1345719 0.74 CYP3A4 (0.40) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL24228161 0.73 TAAR1 (0.38) L3MBTL1AKT1ALDH1A1
Hydrochloric Acid SCHEMBL27683877 0.73 MAPK9 (0.53) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL29040464 0.73 MAPK9 (0.53) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL28405187 0.72 PARP1 (0.52) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL21141810 0.70 BRD4 (0.45) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067684-C Imidazo [1,5-1] quinolines for treatment of anxiety and sleep disorders PHAMACIA UPJOHN CO (US) 2001-06-27 CN claimed
CN-1135753-A Imidazo [1, 5-a ] quinolines for the treatment of anxiety and sleep disorders UPJOHN CO (US) 1996-11-13 CN claimed
CN-1067684-C Imidazo [1,5-1] quinolines for treatment of anxiety and sleep disorders PHAMACIA UPJOHN CO (US) 2001-06-27 CN disclosed
CN-1135753-A Imidazo [1, 5-a ] quinolines for the treatment of anxiety and sleep disorders UPJOHN CO (US) 1996-11-13 CN disclosed