SCHEMBL7520955

SCHEMBL7520955

Nc1ccc(S(N)(=O)=O)c(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.46
CA1 P00915 11/20 0.46
CA9 Q16790 8/20 0.46
CA12 O43570 6/20 0.46
CA14 Q9ULX7 5/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5B Q9Y2D0 2/20 0.46
CYP2C9 P11712 1/20 0.46
PTGES2 Q9H7Z7 2/20 0.39
LDHA P00338 1/20 0.37
CALM1 P0DP23 1/20 0.37
CA3 P07451 1/20 0.36
PLA2G7 Q13093 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL11609095 0.85 AURKA (0.41) CA2CA1CA9CA12CA14
SCHEMBL1498780 0.81 CALM1 (0.55) CA2CA1CA9CA5ACALM1
SCHEMBL10587167 0.77 CA2 (0.42) CA2CA1CA9CA12CA14
SCHEMBL29988453 0.77 CA1 (0.51) CA2CA1CA9CA12CA14
SCHEMBL28459647 0.76 CA1 (0.53) CA2CA1CA9CA12CA14
SCHEMBL6121437 0.76 CA1 (0.45) CA2CA1CA9CA12CA14
SCHEMBL4010784 0.76 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL4741415 0.75 CA2 (0.51) CA2CA1CA9CA12CA14
SCHEMBL28142430 0.75 CA1 (0.44) CA2CA1CA9CA12CA14
SCHEMBL30988957 0.74 CA1 (0.41) CA2CA1CA9CA12CA14

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-2001083434-B1 P-(SULFONYL)-ARYL AND HETEROARYLS AMINES 2002-04-25 WO claimed