Sugi Predict

Sugi Predict / Compounds / SCHEMBL7554444

SCHEMBL7554444

SCHEMBL7554444

CC(C)(C)NS(=O)(=O)c1c(-c2ccccc2)ccc(N)c1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 16/20 0.48
▸ FEN1 P39748 16/20 0.48
▸ NSD2 O96028 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PARG Q86W56 1/20 0.40

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
SCHEMBL7404601 0.81 NSD2 (0.51) ALOX5APFEN1NSD2MAPTNPSR1
SCHEMBL7411266 0.79 PTGS2 (0.43) ALOX5APFEN1MAPTNPSR1
SCHEMBL4058098 0.78 ALOX5AP (0.47) ALOX5APFEN1MAPTNPSR1PARG
SCHEMBL6239022 0.77 CA12 (0.46) ALOX5APFEN1
SCHEMBL7406577 0.73 PARG (0.41) ALOX5APFEN1MAPTNPSR1PARG
SCHEMBL6308007 0.73 ALOX5AP (0.54) ALOX5APFEN1NSD2
SCHEMBL6988995 0.72 ALOX5AP (0.51) ALOX5APFEN1NSD2PARG
SCHEMBL10730171 0.72 PARG (0.43) ALOX5APFEN1NSD2MAPTNPSR1
SCHEMBL29535047 0.71 NSD2 (0.66) ALOX5APFEN1NSD2MAPT
SCHEMBL1968159 0.71 ALOX5AP (0.59) ALOX5APFEN1NSD2PARG

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-1216231-A2 INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 — — EP disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 — — WO disclosed