SCHEMBL22925664

SCHEMBL22925664

COc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cnc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 5/20 0.52
▸ FLT4 P35916 5/20 0.52
▸ KDR P35968 5/20 0.52
▸ IMPDH2 P12268 6/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ TRPV1 Q8NER1 6/20 0.45
▸ DGAT1 O75907 1/20 0.42
▸ VCP P55072 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
SCHEMBL29621056 1.00 FLT1 (0.52) FLT1FLT4KDRIMPDH2ALOX5
SCHEMBL22925665 0.93 FLT1 (0.50) FLT1FLT4KDRIMPDH2ALOX5
SCHEMBL29696294 0.93 FLT1 (0.50) FLT1FLT4KDRIMPDH2ALOX5
SCHEMBL24637048 0.87 ALOX5 (0.55) FLT1FLT4KDRALOX5TRPV1
SCHEMBL22925577 0.83 ALOX5 (0.53) FLT1FLT4KDRALOX5TRPV1
SCHEMBL22925667 0.81 IMPDH2 (0.43) FLT1FLT4KDRIMPDH2ALOX5
SCHEMBL29620893 0.81 IMPDH2 (0.43) FLT1FLT4KDRIMPDH2ALOX5
SCHEMBL22925571 0.80 TRPV1 (0.49) FLT1FLT4KDRALOX5TRPV1
SCHEMBL22925569 0.79 TRPV1 (0.47) FLT1FLT4KDRALOX5TRPV1
SCHEMBL29620925 0.79 TRPV1 (0.48) FLT1FLT4KDRALOX5TRPV1

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
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — WO disclosed
Send feedback