SCHEMBL8640732

SCHEMBL8640732

N#Cc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.50
PTGS1 P23219 5/20 0.41
PDPK1 O15530 1/20 0.40
MAPK9 P45984 1/20 0.40
CHRNA7 P36544 2/20 0.39
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38

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
SCHEMBL8691511 0.90 PTGS2 (0.51) PTGS2PTGS1PDPK1CA2CA7
SCHEMBL8693252 0.88 PTGS2 (0.65) PTGS2PTGS1PDPK1CHRNA7CA2
SCHEMBL8689658 0.88 PTGS2 (0.50) PTGS2PTGS1PDPK1CA2CA7
SCHEMBL8637414 0.88 PTGS2 (0.50) PTGS2PTGS1CA2CA7
SCHEMBL8689144 0.86 PTGS2 (0.48) PTGS2PTGS1CHRNA7CA2
SCHEMBL8639776 0.84 PTGS2 (0.49) PTGS2PTGS1PDPK1CA2CA7
SCHEMBL8422143 0.84 PTGS2 (0.48) PTGS2PTGS1PDPK1MAPK9CA2
SCHEMBL8423923 0.84 PTGS2 (0.48) PTGS2PTGS1PDPK1MAPK9CA2
SCHEMBL8639277 0.84 PTGS2 (0.44) PTGS2PTGS1PDPK1MAPK9CHRNA7
Benzenesulfonamide SCHEMBL7929456 0.84 PTGS2 (0.68) PTGS2PTGS1PDPK1CHRNA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
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
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