SCHEMBL7874469

SCHEMBL7874469

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.66
CA9 Q16790 3/20 0.63
PTGS2 P35354 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
FAAH O00519 1/20 0.49
NR1H2 P55055 1/20 0.48
RPA1 P27694 1/20 0.48

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
SCHEMBL7872741 0.92 CHRNA7 (0.66) CHRNA7CA9PTGS2SMN1; SMN2FAAH
SCHEMBL7874475 0.89 CHRNA7 (0.63) CHRNA7CA9PTGS2SMN1; SMN2FAAH
SCHEMBL7876242 0.88 CA9 (0.66) CHRNA7CA9PTGS2SMN1; SMN2FAAH
SCHEMBL7872745 0.88 CHRNA7 (0.66) CHRNA7CA9PTGS2SMN1; SMN2NR1H2
SCHEMBL7867789 0.87 CHRNA7 (0.63) CHRNA7CA9PTGS2SMN1; SMN2FAAH
SCHEMBL9204895 0.86 CA9 (0.82) CHRNA7CA9PTGS2SMN1; SMN2NR1H2
SCHEMBL7876337 0.86 CA9 (0.66) CHRNA7CA9PTGS2SMN1; SMN2NR1H2
SCHEMBL7872897 0.86 CHRNA7 (0.66) CHRNA7CA9PTGS2SMN1; SMN2FAAH
SCHEMBL6511261 0.85 CA9 (0.69) CHRNA7CA9PTGS2SMN1; SMN2
SCHEMBL7627415 0.85 CHRNA7 (0.83) CHRNA7CA9PTGS2

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 1 patent. 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