SCHEMBL8082065

SCHEMBL8082065

Cc1c2c(c(-c3ccc4c(c3)OCO4)c3c4c(ccc13)OCO4)C(=O)NC2=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.45
NQO2 P16083 2/20 0.42
BRD4 O60885 2/20 0.40
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8086666 0.87 PTGS2 (0.44) NQO2MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL8072409 0.85 NPC1 (0.38) NQO2CYP19A1MEN1RAB9AKMT2A
SCHEMBL8081635 0.85 ALOX5 (0.40) ALOX5NQO2BRD4PDE10AMEN1
SCHEMBL8085195 0.85 MAPT (0.45) ALOX5NQO2MAPK1CYP19A1MEN1
SCHEMBL8082332 0.84 MAP2K4 (0.37) NQO2MAP2K4CYP19A1MEN1KMT2A
SCHEMBL8084922 0.83 ALOX5 (0.53) ALOX5NQO2BRD4MAPK1MAP2K4
SCHEMBL8085152 0.82 ALOX5 (0.38) ALOX5NQO2PDE10AMEN1RAB9A
SCHEMBL8080877 0.81 ALOX5 (0.43) ALOX5NQO2BRD4MAPK1MAP2K4
SCHEMBL8082003 0.81 TDP1 (0.44) ALOX5NQO2BRD4PDE10AMEN1
SCHEMBL8082083 0.78 TDP1 (0.42) ALOX5BRD4MEN1RAB9AKMT2A

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