SCHEMBL8633375

SCHEMBL8633375

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.37
LRRK2 Q5S007 1/20 0.34
POLB P06746 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
PTGS2 P35354 2/20 0.34
CA4 P22748 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 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
SCHEMBL8633221 0.90 PTGS2 (0.38) F10CA1CA2CA9PTGS2
SCHEMBL8630040 0.88 POLB (0.36) F10LRRK2POLBCA2CA9
SCHEMBL8633695 0.88 F10 (0.39) F10LRRK2CA1CA2CA9
SCHEMBL8629079 0.86 F10 (0.36) F10LRRK2POLBCA1CA2
SCHEMBL8635633 0.85 AR (0.36) F10PTGS2F2PRSS1PRSS2
SCHEMBL8634661 0.85 PTGS2 (0.45) F10POLBPTGS2F2PRSS1
SCHEMBL7780018 0.83 CA9 (0.47) CA1CA2CA9PTGS2CA4
SCHEMBL8633616 0.83 PTGS2 (0.39) F10CA1CA2CA9PTGS2
SCHEMBL8632205 0.83 PTGS2 (0.45) F10POLBCA1CA2CA9
SCHEMBL8633822 0.83 POLB (0.33) F10LRRK2POLBCA2CA9

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