SCHEMBL7022865

SCHEMBL7022865

O=c1c2ccccc2nc(Cc2ccccc2F)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PDE10A Q9Y233 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
CCKBR P32239 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 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
SCHEMBL7014934 0.91 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7020536 0.90 ALDH1A1 (0.49) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7102353 0.90 ALDH1A1 (0.53) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7025246 0.90 ALDH1A1 (0.53) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7025082 0.89 ALDH1A1 (0.52) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7022468 0.89 ALDH1A1 (0.52) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7015083 0.89 ALDH1A1 (0.52) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7168665 0.89 ALDH1A1 (0.52) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7023261 0.87 ALDH1A1 (0.70) ALDH1A1NPC1RAB9APDE10AKMT2A
SCHEMBL7021458 0.86 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APDE10AKMT2A

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 2 patents. 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 claimed
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