SCHEMBL8639004

SCHEMBL8639004

NS(=O)(=O)c1ccccc1-c1n[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.57
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
IDO1 P14902 3/20 0.50
GAA P10253 2/20 0.50
MAPK10 P53779 2/20 0.50
ALPL P05186 1/20 0.50
HPGD P15428 1/20 0.50
AURKA O14965 2/20 0.45
PDPK1 O15530 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAP2K4 P45985 2/20 0.44
LRRK2 Q5S007 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
CDK2 P24941 2/20 0.43
FGFR1 P11362 2/20 0.43
FLT1 P17948 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL31120871 0.87 TTK (0.54) TTKKDM4EALDH1A1IDO1GAA
SCHEMBL27790968 0.84 KDM4E (0.50) TTKKDM4EALDH1A1IDO1GAA
SCHEMBL29134169 0.84 TTK (0.54) TTKKDM4EALDH1A1IDO1GAA
SCHEMBL9876317 0.75 IDO1 (0.58) TTKKDM4EALDH1A1IDO1GAA
SCHEMBL574814 0.74 METAP2 (0.55) TTKIDO1JAK1CA1CA2
SCHEMBL1672674 0.73 IDO1 (0.78) TTKKDM4EALDH1A1IDO1GAA
SCHEMBL31443036 0.73 TTK (0.54) TTKKDM4EALDH1A1IDO1GAA
SCHEMBL440399 0.73 TTK (0.54) TTKKDM4EALDH1A1IDO1GAA
SCHEMBL2564335 0.73 TTK (1.00) TTKAURKAMAP2K4MAPK8
SCHEMBL17583974 0.72 MAP2K4 (0.51) TTKKDM4EALDH1A1IDO1GAA

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
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP disclosed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO disclosed