SCHEMBL8633616

SCHEMBL8633616

Cc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CCc3ccccc3)c2CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
F10 P00742 5/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SCN9A Q15858 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8631669 0.90 PTGES2 (0.38) PTGS2F10F2PRSS1PRSS2
SCHEMBL8634661 0.90 PTGS2 (0.45) PTGS2F10F2PRSS1PRSS2
SCHEMBL8631591 0.88 PTGS2 (0.41) PTGS2F10F2PRSS1PRSS2
SCHEMBL8632230 0.88 PTGS2 (0.37) PTGS2F10F2PRSS1PRSS2
SCHEMBL8633695 0.87 F10 (0.39) PTGS2F10F2PRSS1PRSS2
SCHEMBL7772814 0.86 PTGS2 (0.48) PTGS2CA1CA2CA4CA9
SCHEMBL8634745 0.83 PTGS2 (0.38) PTGS2F10CA1CA2CA4
SCHEMBL8631787 0.83 PTGS2 (0.40) PTGS2F10F2PRSS1PRSS2
SCHEMBL8633375 0.83 F10 (0.37) PTGS2F10F2PRSS1PRSS2
SCHEMBL8632921 0.83 PTGS2 (0.46) PTGS2F10

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