SCHEMBL8561935

SCHEMBL8561935

NS(=O)(=O)c1ccccc1-c1oc(C(F)(F)F)nc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NR4A2 P43354 2/20 0.37
ELANE P08246 1/20 0.37
TRPV1 Q8NER1 3/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
USP1 O94782 1/20 0.36
USP19 O94966 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8560253 0.90 F10 (0.37) CA12CA1CA2CA9F2
SCHEMBL8589897 0.86 NR4A2 (0.40) CA12CA1CA2CA9F2
SCHEMBL8559927 0.81 PTGS2 (0.49) CA9TRPV1PTGS2PTGS1USP1
SCHEMBL7501561 0.81 PTGS2 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL7502720 0.81 PTGS2 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL5694182 0.80 PTGS2 (0.56) CA12CA1CA2CA9F2
SCHEMBL8146634 0.80 MAOB (0.55) CA12CA1CA2CA9PTGS2
SCHEMBL8561383 0.80 USP1 (0.39) CA12CA1CA2CA9F10
SCHEMBL4405116 0.79 PTGS2 (0.44) F10TRPV1PTGS2PTGS1ALOX5AP
SCHEMBL8151872 0.79 TDP1 (0.44) CA12CA1CA2CA9PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed