SCHEMBL8924204

SCHEMBL8924204

CSc1ccc(-c2cc(C(F)F)nn2-c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.57
PTGS1 P23219 10/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
ABCB11 O95342 1/20 0.44
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43
PDPK1 O15530 1/20 0.41

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
SCHEMBL7456119 0.90 PTGS2 (0.67) PTGS2PTGS1ALDH1A1HPGDABCB11
SCHEMBL7466958 0.90 PTGS2 (0.55) PTGS2PTGS1ALDH1A1HPGDABCB11
SCHEMBL7465548 0.89 PTGS2 (0.54) PTGS2PTGS1ALDH1A1HPGDABCB11
SCHEMBL5698729 0.85 PTGS2 (0.67) PTGS2PTGS1ALDH1A1HPGD
SCHEMBL5149168 0.84 PTGS2 (0.51) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL9206762 0.84 PTGS2 (0.54) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL7466137 0.83 PTGS2 (0.68) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL9210879 0.83 PTGS2 (0.62) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL3239886 0.82 PTGS2 (0.77) PTGS2PTGS1ALDH1A1ABCB11PDPK1
SCHEMBL5425139 0.82 PTGS2 (0.83) PTGS2PTGS1ALDH1A1ABCB11

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-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed