SCHEMBL7779448

SCHEMBL7779448

CS(=O)(=O)c1ccc(-c2nn(CCc3ccccn3)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.74
PTGS1 P23219 4/20 0.47
JAK2 O60674 2/20 0.46
PTK2 Q05397 2/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7780133 0.90 PTGS2 (0.59) PTGS2PTGS1CSNK1DCSNK1EKDM4E
SCHEMBL216154 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8628794 0.82 PTGS2 (0.49) PTGS2PTGS1CSNK1DCSNK1EKDM4E
SCHEMBL7779913 0.80 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7779916 0.79 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7780135 0.78 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8628944 0.78 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8628793 0.77 PTGS2 (0.46) PTGS2CSNK1DCSNK1EKDM4EMAPT
SCHEMBL7780005 0.77 PTGS2 (0.67) PTGS2PTGS1JAK2PTK2
SCHEMBL7778051 0.77 PTGS2 (0.76) PTGS2PTGS1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US claimed
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP disclosed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP disclosed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed