SCHEMBL8082235

SCHEMBL8082235

COc1ccc2cc3c(c(-c4ccc(C(F)(F)F)cc4)c2c1)CNC3=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.48
MAOB P27338 1/20 0.47
PIK3CA P42336 1/20 0.41
KDR P35968 2/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
ROCK2 O75116 2/20 0.38
MAP3K9 P80192 1/20 0.37
MAP3K11 Q16584 1/20 0.37
GSTP1 P09211 1/20 0.36
NQO2 P16083 1/20 0.36
BCHE P06276 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
GRM2 Q14416 1/20 0.36
TP53 P04637 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
SCHEMBL8072870 0.90 ALOX5 (0.55) ALOX5KDRCDK1ROCK2GSTP1
SCHEMBL8086679 0.89 ALOX5 (0.48) ALOX5KDRROCK2GSTP1NQO2
SCHEMBL8085131 0.88 ALOX5 (0.51) ALOX5MAOBKDRCDK1GSK3B
SCHEMBL8085101 0.86 ALOX5 (0.52) ALOX5MAOBKDRCDK1ROCK2
SCHEMBL8081908 0.81 ALOX5 (0.49) ALOX5ROCK2NQO2MAPKAPK2
SCHEMBL8084959 0.81 ALOX5 (0.47) ALOX5PIK3CAKDRROCK2MAP3K9
SCHEMBL8086655 0.81 ROCK2 (0.49) ALOX5MAOBKDRCDK1ROCK2
SCHEMBL8072560 0.81 MAOB (0.49) ALOX5MAOBPIK3CACCNB2CDK1
SCHEMBL8082319 0.81 PIK3CA (0.44) ALOX5MAOBPIK3CAKDRROCK2
SCHEMBL8467393 0.81 ALOX5 (0.42) ALOX5PIK3CAKDRROCK2NQO2

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
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US claimed
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed