SCHEMBL8474458

SCHEMBL8474458

Cc1noc(-c2ccc(Cl)cc2)c1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.45
BRD2 P25440 2/20 0.45
BRD3 Q15059 2/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALOX5AP P20292 2/20 0.42
ALOX5 P09917 1/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
MAPT P10636 1/20 0.40
F10 P00742 1/20 0.40
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL8474214 0.90 BRD4 (0.47) BRD4BRD2BRD3PTGS2ALOX5AP
SCHEMBL8479007 0.90 EDNRB (0.46) BRD4BRD2BRD3PTGS1PTGS2
SCHEMBL8473891 0.88 PTGS2 (0.45) BRD4BRD2BRD3PTGS1PTGS2
SCHEMBL8474223 0.87 KMT2A (0.48) BRD4BRD2BRD3PTGS1PTGS2
SCHEMBL8474687 0.81 PTGS2 (0.57) BRD4BRD2BRD3PTGS1PTGS2
SCHEMBL8479976 0.80 BRD4 (0.47) BRD4BRD2BRD3PTGS1PTGS2
SCHEMBL6170394 0.79 CA1 (0.54) PTGS1PTGS2ALOX5APCA2CA9
SCHEMBL6170551 0.79 CA1 (0.54) PTGS1PTGS2ALOX5APCA2CA9
SCHEMBL8474145 0.79 BRD4 (0.49) BRD4BRD2BRD3PTGS1PTGS2
SCHEMBL8473322 0.78 PTGS2 (0.46) BRD4BRD2BRD3PTGS1PTGS2

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
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed