SCHEMBL8561383

SCHEMBL8561383

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.39
USP19 O94966 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
NR4A2 P43354 3/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
F10 P00742 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL8556828 0.90 USP1 (0.39) USP1USP19WDR48ALOX5APFEN1
SCHEMBL8545808 0.86 USP1 (0.38) USP1USP19WDR48ALOX5APFEN1
SCHEMBL8550565 0.85 NR4A2 (0.38) USP1USP19WDR48CA12CA1
SCHEMBL9099699 0.84 NR4A2 (0.39) USP1USP19WDR48CA12CA1
SCHEMBL8558824 0.82 PTGS2 (0.45) USP1USP19ALOX5APFEN1PTGS2
SCHEMBL7499215 0.81 PTGS2 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL7508511 0.81 PTGS2 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL5694182 0.80 PTGS2 (0.56) CA12CA1CA2CA9NR4A2
SCHEMBL8561935 0.80 CA12 (0.38) USP1USP19WDR48ALOX5APFEN1
SCHEMBL9026920 0.79 PTGS2 (0.41) USP1USP19ALOX5APFEN1CA2

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