SCHEMBL7822903

SCHEMBL7822903

CC(=O)/C=C/c1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.38
PTGS1 P23219 1/20 0.38
APP P05067 3/20 0.34
GSK3B P49841 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
FDPS P14324 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIK1 P39086 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRIK3 Q13003 1/20 0.31

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
SCHEMBL7826959 0.88 TTR (0.41) APPGSK3BCCNB2CDK1CCNB1
SCHEMBL7826963 0.88 TTR (0.41) APPGSK3BCCNB2CDK1CCNB1
SCHEMBL7822593 0.83 F3 (0.48) PADI4NPC1RAB9AMAOA
SCHEMBL7822589 0.83 F3 (0.48) PADI4NPC1RAB9AMAOA
SCHEMBL7825535 0.82 KIF11 (0.43) GSK3BCHEK1CSNK2A1
SCHEMBL7815807 0.81 NPC1 (0.33) PADI4NPC1RAB9A
SCHEMBL8073308 0.81 IP6K1 (0.41) CDK1CHEK1NPC1RAB9ACSNK2A1
SCHEMBL8073292 0.81 IP6K1 (0.41) CDK1CHEK1NPC1RAB9ACSNK2A1
SCHEMBL7825711 0.81 CCNB2 (0.37) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL7825041 0.81 CCNB2 (0.33) GSK3BCCNB2CDK1CCNB1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed