SCHEMBL8633155

SCHEMBL8633155

CC#Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2C)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
F10 P00742 6/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SDHB P21912 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31

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 0.88 PTGS2 (0.37) PTGS2PTGS1F10TRPV1
SCHEMBL8630982 0.88 PTGS2 (0.37) PTGS2PTGS1F10CA1CA2
SCHEMBL8628678 0.85 PTGS2 (0.46) PTGS2PTGS1F10TRPV1
SCHEMBL7779825 0.85 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA12
SCHEMBL8632159 0.85 F10 (0.38) PTGS2PTGS1F10
SCHEMBL8630570 0.85 F10 (0.37) PTGS2PTGS1F10
SCHEMBL8628103 0.84 PTGS2 (0.39) PTGS2PTGS1F10CA1CA2
SCHEMBL8632851 0.83 PTGS2 (0.42) PTGS2PTGS1F10CA1CA2
SCHEMBL8627953 0.83 PTGS2 (0.42) PTGS2PTGS1F10
SCHEMBL8629119 0.83 PTGS2 (0.38) PTGS2PTGS1F10GABRPGABRD

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