SCHEMBL8085131

SCHEMBL8085131

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
GRM2 Q14416 1/20 0.49
KDR P35968 1/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
ROCK2 O75116 2/20 0.40
MAOB P27338 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
PTPN7 P35236 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
WRN Q14191 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSTP1 P09211 1/20 0.39
NQO2 P16083 1/20 0.38
MAPKAPK2 P49137 2/20 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
SCHEMBL8072870 0.93 ALOX5 (0.55) ALOX5KDRROCK2GSTP1NQO2
SCHEMBL8085101 0.89 ALOX5 (0.52) ALOX5KDRROCK2MAOBGSTP1
SCHEMBL8082235 0.88 ALOX5 (0.48) ALOX5GRM2KDRROCK2MAOB
SCHEMBL8086679 0.88 ALOX5 (0.48) ALOX5GRM2KDRROCK2GSTP1
SCHEMBL8084959 0.84 ALOX5 (0.47) ALOX5KDRROCK2GSTP1NQO2
SCHEMBL8081908 0.84 ALOX5 (0.49) ALOX5ROCK2KMT2AHSD17B10NQO2
SCHEMBL8086655 0.84 ROCK2 (0.49) ALOX5KDRROCK2MAOBKMT2A
SCHEMBL8086689 0.81 ALOX5 (0.74) ALOX5KMT2A
SCHEMBL8080761 0.81 ALOX5 (0.48) ALOX5ROCK2POLBPTPN7MAPKAPK2
SCHEMBL8467392 0.81 RXFP1 (0.52) ALOX5KDRROCK2POLBMAPKAPK2

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 1 patent. 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 disclosed