SCHEMBL3398528

SCHEMBL3398528

NS(=O)(=O)c1ccccc1-c1cnc(C(F)(F)F)nc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 12/20 0.56
FEN1 P39748 12/20 0.56
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
F10 P00742 2/20 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
SCHEMBL2567683 0.76 KIF11 (0.56) ALOX5APFEN1TRPV1F10
SCHEMBL13733557 0.75 ALOX5AP (0.51) ALOX5APFEN1CA1CA2CA4
SCHEMBL29718617 0.75 CYP3A4 (0.47) ALOX5APFEN1TRPV1F10
SCHEMBL6237306 0.74 ALOX5AP (0.77) ALOX5APFEN1F10
SCHEMBL29718800 0.74 ALOX5AP (0.45) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL8350056 0.73 CA1 (0.54) ALOX5APFEN1CA1CA2CA4
SCHEMBL7970970 0.73 ALOX5AP (0.56) ALOX5APFEN1F2PRSS1F10
SCHEMBL6883474 0.73 KIF11 (0.50) ALOX5APFEN1TRPV1
SCHEMBL30810325 0.72 BCAT2 (0.54) ALOX5APFEN1
SCHEMBL15932372 0.72 ALOX5AP (1.00) ALOX5APFEN1

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-2245017-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2010-11-03 EP claimed
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 WO claimed