SCHEMBL9117329

SCHEMBL9117329

CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(Cl)nc2)CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.62
PTGS1 P23219 11/20 0.62
SMN1; SMN2 Q16637 1/20 0.41
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 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
SCHEMBL9118415 0.95 PTGS2 (0.56) PTGS2PTGS1SMN1; SMN2ABCC4ABCB11
SCHEMBL9119288 0.95 PTGS2 (0.56) PTGS2PTGS1SMN1; SMN2ABCC4ABCB11
SCHEMBL9117061 0.86 PTGS2 (0.49) PTGS2PTGS1SMN1; SMN2
SCHEMBL9119888 0.85 PTGS2 (0.63) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL9118925 0.84 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL9115937 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL9119972 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8973804 0.82 PTGS2 (0.42) PTGS2PTGS1SMN1; SMN2ABCC4ABCB11
SCHEMBL9115408 0.82 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2POLB
SCHEMBL9116138 0.82 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2POLB

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
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO claimed