SCHEMBL6170940

SCHEMBL6170940

CSc1ccc(-c2onc(C)c2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.53
BRD2 P25440 1/20 0.53
TDO2 P48775 1/20 0.50
PTGS2 P35354 4/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ALOX5AP P20292 1/20 0.40
PTGS1 P23219 2/20 0.40
GABRA5 P31644 1/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A3 P47895 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL8475581 1.00 BRD4 (0.53) BRD4BRD2TDO2PTGS2PTPN1
SCHEMBL21105338 0.87 BRD4 (0.68) BRD4BRD2TDO2PTGS2PTPN1
SCHEMBL6514108 0.86 ALDH1A1 (0.40) BRD4BRD2TDO2PTGS2ALDH1A1
SCHEMBL6167853 0.82 PTGS2 (0.43) BRD4BRD2TDO2PTGS2PTPN1
SCHEMBL6511644 0.81 BRD4 (0.56) BRD4BRD2TDO2PTGS2PTPN1
SCHEMBL6168185 0.76 PTGS2 (0.57) BRD4BRD2TDO2PTGS2PTGS1
SCHEMBL6168058 0.76 PTGS2 (0.57) BRD4BRD2TDO2PTGS2PTGS1
SCHEMBL6168295 0.75 PTGS2 (0.75) BRD4BRD2PTGS2MAPTPTGS1
SCHEMBL6169136 0.75 PTGS2 (0.63) BRD4BRD2TDO2PTGS2PTGS1
SCHEMBL6013960 0.75 PTGS2 (0.63) BRD4BRD2TDO2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1214790-C Medicinal composition for treating inflammation SEARLE & CO (US) 2005-08-17 CN disclosed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 CN disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
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