SCHEMBL29696302

SCHEMBL29696302

COC(=O)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)cn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.57
▸ KDR P35968 8/20 0.47
▸ FLT1 P17948 7/20 0.47
▸ FLT4 P35916 7/20 0.47
▸ VCP P55072 7/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ IMPDH2 P12268 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL22926098 1.00 ALOX5 (0.57) ALOX5KDRFLT1FLT4VCP
SCHEMBL28733638 0.89 VCP (0.60) ALOX5KDRFLT1FLT4VCP
SCHEMBL22925600 0.89 TRPV1 (0.45) ALOX5KDRFLT1FLT4VCP
SCHEMBL29696271 0.89 ALOX5 (0.47) ALOX5KDRFLT1FLT4VCP
SCHEMBL22925953 0.89 ALOX5 (0.47) ALOX5KDRFLT1FLT4VCP
SCHEMBL21303759 0.87 ALOX5 (0.58) ALOX5KDRFLT1FLT4VCP
SCHEMBL29621011 0.86 ALOX5 (0.60) ALOX5KDRFLT1FLT4VCP
SCHEMBL22926099 0.86 ALOX5 (0.60) ALOX5KDRFLT1FLT4VCP
SCHEMBL22925869 0.84 ALOX5 (0.43) ALOX5KDRFLT1FLT4VCP
SCHEMBL29696334 0.84 ALOX5 (0.43) ALOX5KDRFLT1FLT4VCP

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
Send feedback