SCHEMBL7876337

SCHEMBL7876337

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.66
CHRNA7 P36544 5/20 0.63
NR1H2 P55055 1/20 0.48
PTGS2 P35354 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL7876242 0.92 CA9 (0.66) CA9CHRNA7NR1H2PTGS2SMN1; SMN2
SCHEMBL7878961 0.89 CA9 (0.62) CA9CHRNA7NR1H2PTGS2SMN1; SMN2
SCHEMBL6511261 0.89 CA9 (0.69) CA9CHRNA7PTGS2SMN1; SMN2HDAC3
SCHEMBL7872897 0.88 CHRNA7 (0.66) CA9CHRNA7NR1H2PTGS2SMN1; SMN2
SCHEMBL7872741 0.88 CHRNA7 (0.66) CA9CHRNA7NR1H2PTGS2SMN1; SMN2
SCHEMBL9204895 0.86 CA9 (0.82) CA9CHRNA7NR1H2PTGS2SMN1; SMN2
SCHEMBL7874469 0.86 CHRNA7 (0.66) CA9CHRNA7NR1H2PTGS2SMN1; SMN2
SCHEMBL7872745 0.86 CHRNA7 (0.66) CA9CHRNA7NR1H2PTGS2SMN1; SMN2
SCHEMBL7627415 0.85 CHRNA7 (0.83) CA9CHRNA7PTGS2
SCHEMBL9199282 0.85 CA9 (0.72) CA9CHRNA7NR1H2PTGS2SMN1; 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 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