SCHEMBL7308068

SCHEMBL7308068

NS(=O)(=O)c1cc(C(=O)CC(Cc2ccccc2)C(=O)O)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.71
CA1 P00915 16/20 0.64
CA2 P00918 16/20 0.64
CA7 P43166 6/20 0.57
CA13 Q8N1Q1 6/20 0.57
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
HTT P42858 1/20 0.51
CA6 P23280 2/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL3667472 0.83 KMO (1.00) KMO
SCHEMBL727440 0.83 KMO (1.00) KMO
SCHEMBL728320 0.83 KMO (1.00) KMO
SCHEMBL7314484 0.79 KMO (0.57) KMOCA1CA2CA7CA13
SCHEMBL7319589 0.76 KMO (0.72) KMO
SCHEMBL9554501 0.76 KMO (0.72) KMO
SCHEMBL7312457 0.76 KMO (0.71) KMO
SCHEMBL3104186 0.74 TSHR (0.75) KMO
SCHEMBL7315538 0.74 TSHR (0.75) KMO
SCHEMBL3104413 0.74 KMO (0.68) KMO

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed