SCHEMBL8629119

SCHEMBL8629119

CC#Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(SC)cc2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.38
PTGS1 P23219 3/20 0.38
PTGES2 Q9H7Z7 1/20 0.34
F10 P00742 9/20 0.34
TRPV1 Q8NER1 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 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
SCHEMBL8631538 0.90 PTGS2 (0.37) PTGS2PTGS1F10TRPV1F2
SCHEMBL8628678 0.89 PTGS2 (0.46) PTGS2PTGS1F10TRPV1
SCHEMBL8630982 0.89 PTGS2 (0.37) PTGS2PTGS1F10TRPV1
SCHEMBL8630570 0.88 F10 (0.37) PTGS2PTGS1F10F2
SCHEMBL8631947 0.86 F10 (0.46) PTGS2PTGS1F10F2
SCHEMBL8632198 0.85 PTGS2 (0.41) PTGS2PTGS1PTGES2F10GABRP
SCHEMBL7778242 0.84 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8632159 0.83 F10 (0.38) PTGS2PTGS1F10F2
SCHEMBL8633155 0.83 PTGS2 (0.39) PTGS2PTGS1F10TRPV1GABRP
SCHEMBL8633059 0.82 PTGS2 (0.55) PTGS2PTGS1PTGES2F10TRPV1

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