SCHEMBL9585465

SCHEMBL9585465

Cc1c(C(N)=O)oc2nn(C)c(C)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ TRPA1 O75762 3/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL9585161 0.85 EDNRA (0.36) KDM4EL3MBTL1
SCHEMBL9585466 0.85 KDM4E (0.31) KDM4EL3MBTL1
SCHEMBL9586209 0.81 BAZ2B (0.45) KDM4EPOLB
SCHEMBL9584755 0.81 — —
SCHEMBL9585087 0.80 TRPA1 (0.35) TRPA1
SCHEMBL9585132 0.77 KDM4E (0.37) KDM4EPOLBL3MBTL1
SCHEMBL9585030 0.77 MAPT (0.40) KDM4EPOLB
SCHEMBL9585206 0.77 HPGD (0.35) KDM4EPOLB
SCHEMBL9583759 0.76 POLB (0.49) KDM4EPOLBL3MBTL1
SCHEMBL9584539 0.75 NPC1 (0.41) KDM4EPOLBL3MBTL1

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-5240947-A Thrombocyte aggregation inhibitors, antiallergens NATIONAL SCIENCE COUNCIL (TW) 1993-08-31 — — US disclosed
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