SCHEMBL1553219

SCHEMBL1553219

CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 17/20 0.52

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
SCHEMBL1553362 0.89 KCNH2 (0.44) CXCR3
SCHEMBL451131 0.88 NPC1 (0.52) CXCR3
SCHEMBL450061 0.87 CXCR3 (0.54) CXCR3
SCHEMBL450858 0.85 SMN1; SMN2 (0.57) CXCR3
SCHEMBL1553760 0.85 CXCR3 (0.54) CXCR3
SCHEMBL447902 0.84 PTGS2 (0.49)
SCHEMBL453737 0.84 SMN1; SMN2 (0.58)
SCHEMBL452172 0.82 ALDH1A1 (0.61) CXCR3
SCHEMBL450044 0.82 MEN1 (0.47) CXCR3
SCHEMBL452947 0.80 PIK3CD (0.47)

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