SCHEMBL1552855

SCHEMBL1552855

CC(c1nc2ccccc2c(=O)n1-c1ccc(-c2ccc(OC(=O)O)cc2)cc1)N(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 18/20 0.47
PRSS1 P07477 1/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL449419 0.91 ALDH1A1 (0.50) CXCR3PRSS1ALDH1A1
SCHEMBL454538 0.91 CXCR3 (0.47) CXCR3PRSS1
SCHEMBL451971 0.91 CXCR3 (0.47) CXCR3PRSS1
SCHEMBL454416 0.89 CXCR3 (0.48) CXCR3PRSS1
SCHEMBL451511 0.89 PRSS1 (0.49) CXCR3PRSS1
SCHEMBL451205 0.88 CXCR3 (0.50) CXCR3PRSS1ALDH1A1
SCHEMBL451506 0.88 CXCR3 (0.46) CXCR3PRSS1ALDH1A1
SCHEMBL452826 0.88 POLB (0.50) CXCR3PRSS1ALDH1A1
SCHEMBL448755 0.88 PRSS1 (0.43) CXCR3PRSS1
SCHEMBL453544 0.88 HTR6 (0.46) CXCR3PRSS1ALDH1A1

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
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed