SCHEMBL7876435

SCHEMBL7876435

CCOC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(OC)c(F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.63
CA9 Q16790 3/20 0.60
PTGS2 P35354 5/20 0.51
MAPK9 P45984 1/20 0.48
PTGS1 P23219 4/20 0.48
NR1H2 P55055 1/20 0.47
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL7876676 0.93 CHRNA7 (0.63) CHRNA7CA9PTGS2MAPK9PTGS1
SCHEMBL7872745 0.89 CHRNA7 (0.66) CHRNA7CA9PTGS2NR1H2SMN1; SMN2
SCHEMBL7874475 0.89 CHRNA7 (0.63) CHRNA7CA9PTGS2MAPK9PTGS1
SCHEMBL7872897 0.87 CHRNA7 (0.66) CHRNA7CA9PTGS2NR1H2SMN1; SMN2
SCHEMBL7878961 0.87 CA9 (0.62) CHRNA7CA9PTGS2MAPK9PTGS1
SCHEMBL7867789 0.87 CHRNA7 (0.63) CHRNA7CA9PTGS2MAPK9PTGS1
SCHEMBL7627415 0.86 CHRNA7 (0.83) CHRNA7CA9PTGS2PTGS1
SCHEMBL9199925 0.85 CA9 (0.68) CHRNA7CA9PTGS2PTGS1
SCHEMBL9204895 0.84 CA9 (0.82) CHRNA7CA9PTGS2PTGS1NR1H2
SCHEMBL9201606 0.83 CHRNA7 (0.66) CHRNA7CA9PTGS2PTGS1NR1H2

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-6316485-B1 INHIBITS ACTIVITY OF CYCLOOXYGENASE-2; FOR THERAPY AND PROPHYLAXIS OF INFLAMMATION, THROMBOSIS, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE; AS ANALGESIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
EP-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed