SCHEMBL8627787

SCHEMBL8627787

CC#Cn1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.38
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL8630126 0.91 F10 (0.39) F10CA9CA12CA1CA2
SCHEMBL8628935 0.90 PTGS2 (0.44) F10CA9F2PRSS1PRSS2
SCHEMBL8630001 0.90 PTGS2 (0.44) F10CA9CA12F2PRSS1
SCHEMBL8629426 0.88 F10 (0.47) F10F2
SCHEMBL7780848 0.84 PTGS2 (0.49) CA9CA12CA1CA2LMNA
SCHEMBL8631849 0.83 ALOX5AP (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL6746904 0.82 F10 (0.37) F10CA9CA12F2PRSS1
SCHEMBL8628010 0.81 PTGS2 (0.53) F10ALDH1A1
SCHEMBL8628190 0.80 F10 (0.48) F10CA9CA12F2PRSS1
SCHEMBL7780689 0.77 PTGS2 (0.51)

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed