SCHEMBL7014520

SCHEMBL7014520

O=c1c2ccccc2nc(CCl)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.47
PDE10A Q9Y233 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.44

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
SCHEMBL7013568 0.91 LMNA (0.53) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7023261 0.87 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7104431 0.86 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7023859 0.86 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7013767 0.86 LMNA (0.53) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7015083 0.85 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7018781 0.85 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7021458 0.84 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7022684 0.84 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL7011889 0.84 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ALMNAMAPK1

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