SCHEMBL8689121

SCHEMBL8689121

NS(=O)(=O)c1ccccc1-n1ncc(Br)c1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.62
PTGS1 P23219 8/20 0.62
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA2 P00918 6/20 0.43
CA9 Q16790 4/20 0.43
CA1 P00915 4/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CA4 P22748 2/20 0.38
CA6 P23280 1/20 0.38
AURKA O14965 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8639255 0.88 PTGS2 (0.54) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL8689158 0.87 PTGS2 (0.46) PTGS2PTGS1NPSR1CA2CA9
SCHEMBL8638997 0.86 PTGS2 (0.52) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL8691630 0.85 PTGS2 (0.65) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL8689437 0.84 HTT (0.49) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL7059925 0.80 PTGS2 (0.64) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL8424012 0.80 PTGS1 (0.42) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL8689254 0.79 PTGS2 (0.52) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL8693265 0.79 PTGS2 (0.52) PTGS2PTGS1LMNANPSR1CA2
SCHEMBL8421921 0.77 CA2 (0.44) PTGS2PTGS1LMNANPSR1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed