SCHEMBL8632687

SCHEMBL8632687

CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
AR P10275 1/20 0.39
DHFR P00374 1/20 0.35
GHSR Q92847 1/20 0.35
F10 P00742 10/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
P2RX4 Q99571 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8633055 0.92 AR (0.39) PTGS1PTGS2ARGHSRF10
SCHEMBL7779401 0.87 PTGS2 (0.54) PTGS1PTGS2AR
SCHEMBL8628074 0.85 F10 (0.40) PTGS1PTGS2F10F2PRSS1
SCHEMBL8635053 0.84 PTGS1 (0.44) PTGS1PTGS2ARDHFRGHSR
SCHEMBL8630521 0.84 PTGS1 (0.45) PTGS1PTGS2ARDHFRGHSR
SCHEMBL8634846 0.84 PTGS2 (0.41) PTGS1PTGS2ARF10F2
SCHEMBL7801339 0.83 PTGS2 (0.44) PTGS1PTGS2ARGHSR
SCHEMBL8631651 0.82 PTGS2 (0.43) PTGS1PTGS2ARDHFRGHSR
SCHEMBL8630033 0.81 F10 (0.39) PTGS1PTGS2F10F2PRSS1
SCHEMBL8632287 0.80 PTGS2 (0.42) PTGS1PTGS2ARDHFRGHSR

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