SCHEMBL7017302

SCHEMBL7017302

O=c1c2ccccc2nc(Cc2ccccc2)n1-c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
LMNA P02545 1/20 0.59
CCKBR P32239 1/20 0.55
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
KLK7 P49862 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL7015112 0.90 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7017681 0.90 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7014138 0.89 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7019287 0.89 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7023261 0.88 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ALMNAKMT2A
SCHEMBL7166156 0.87 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7147659 0.87 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7017634 0.87 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7015471 0.87 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ALMNACCKBR
SCHEMBL7015668 0.86 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ALMNACCKBR

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