SCHEMBL8628069

SCHEMBL8628069

COc1c(C)cc(-c2c[nH]nc2-c2ccccc2S(N)(=O)=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LRRK2 Q5S007 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGES2 Q9H7Z7 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
SCHEMBL8631047 0.87 ALOX5AP (0.42) F10PTGS1PTGS2PTGES2
SCHEMBL8631176 0.87 PTGS2 (0.46) PTGS1PTGS2PTGES2
SCHEMBL8627772 0.86 PTGS2 (0.47) F10PTGS1PTGS2PTGES2
SCHEMBL8630031 0.85 PTGS2 (0.41) F10PTGS1PTGS2LRRK2
SCHEMBL7780130 0.83 CA12 (0.47) PTGS1PTGS2LRRK2
SCHEMBL8658511 0.82 PTGS2 (0.40) F10PTGS1PTGS2PTGES2
SCHEMBL8632216 0.81 SCN9A (0.46) F10TP53MAPT
SCHEMBL8632840 0.81 LRRK2 (0.42) F10PTGS1PTGS2LRRK2
SCHEMBL8627632 0.81 CA1 (0.42) LRRK2MAPT
SCHEMBL8632289 0.81 AKR1B1 (0.40) F10PTGS2LRRK2

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