SCHEMBL8545808

SCHEMBL8545808

CC(N)c1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.38
USP19 O94966 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
ATR Q13535 1/20 0.38
PTGS2 P35354 5/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
NR4A2 P43354 5/20 0.36
RXRA P19793 2/20 0.36
MAOB P27338 1/20 0.36
RXRB P28702 1/20 0.36
PTGS1 P23219 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL8550565 0.89 NR4A2 (0.38) USP1USP19WDR48ATRPTGS2
SCHEMBL9099699 0.88 NR4A2 (0.39) USP1USP19WDR48ATRPTGS2
SCHEMBL8561383 0.86 USP1 (0.39) USP1USP19WDR48PTGS2CA12
SCHEMBL5694182 0.82 PTGS2 (0.56) PTGS2CA12CA1CA2CA9
SCHEMBL9026920 0.81 PTGS2 (0.41) USP1USP19ATRPTGS2CA2
SCHEMBL9026207 0.81 CYP3A4 (0.41) PTGS2CA12CA1CA2CA9
SCHEMBL9234105 0.80 NR4A2 (0.38) USP1USP19WDR48ATRPTGS2
SCHEMBL9095552 0.80 NR4A2 (0.37) USP1USP19WDR48ATRPTGS2
Methane SCHEMBL6307525 0.80 NR4A2 (0.33) USP1USP19WDR48ATRPTGS2
SCHEMBL7488028 0.79 NR4A2 (0.56) PTGS2NR4A2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed