SCHEMBL7023964

SCHEMBL7023964

O=c1c2ccccc2nc(Cc2cccc(O)c2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
NPSR1 Q6W5P4 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.44
CCKBR P32239 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
PDE10A Q9Y233 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7023261 0.92 ALDH1A1 (0.70) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7020235 0.91 ALDH1A1 (0.58) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7021872 0.91 ALDH1A1 (0.58) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7013115 0.90 ALDH1A1 (0.57) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7016915 0.90 ALDH1A1 (0.57) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7018437 0.90 ALDH1A1 (0.57) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7020310 0.90 ALDH1A1 (0.57) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7017650 0.89 ALDH1A1 (0.64) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7022684 0.89 ALDH1A1 (0.73) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL7098439 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1NPC1RAB9AKMT2A

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-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed