Sugi Predict

Sugi Predict / Compounds / SCHEMBL7448455

SCHEMBL7448455

SCHEMBL7448455

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)/C=C(/c2cccc(C#N)c2)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.59
▸ ALOX5AP P20292 5/20 0.41
▸ FEN1 P39748 5/20 0.41
▸ FPR2 P25090 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7448459 1.00 F10 (0.59) F10ALOX5APFEN1FPR2NAMPT
SCHEMBL7489382 1.00 F10 (0.59) F10ALOX5APFEN1FPR2NAMPT
SCHEMBL7449386 0.89 F10 (0.57) F10ALOX5APFEN1NAMPT
SCHEMBL7486989 0.89 F10 (0.57) F10ALOX5APFEN1NAMPT
SCHEMBL7449389 0.89 F10 (0.57) F10ALOX5APFEN1NAMPT
SCHEMBL7452368 0.86 F10 (0.59) F10ALOX5APFEN1NAMPT
SCHEMBL7680057 0.86 F10 (0.59) F10ALOX5APFEN1NAMPT
SCHEMBL7452359 0.86 F10 (0.59) F10ALOX5APFEN1NAMPT
SCHEMBL7453911 0.84 F10 (0.60) F10ALOX5APFEN1NAMPT
SCHEMBL7453902 0.84 F10 (0.60) F10ALOX5APFEN1NAMPT

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
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 — — EP disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 — — WO disclosed