SCHEMBL7013568

SCHEMBL7013568

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
PDE10A Q9Y233 7/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
BLM P54132 1/20 0.47
CCKBR P32239 1/20 0.47
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 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
SCHEMBL7014520 0.91 ALDH1A1 (0.52) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL7023859 0.89 ALDH1A1 (0.56) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL7013767 0.89 LMNA (0.53) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL7104431 0.87 ALDH1A1 (0.50) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL7023261 0.85 ALDH1A1 (0.70) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL7015083 0.83 ALDH1A1 (0.52) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL7018781 0.83 ALDH1A1 (0.60) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL16346179 0.83 NPC1 (0.67) LMNAMAPK1PDE10AALDH1A1MEN1
SCHEMBL7011889 0.83 ALDH1A1 (0.63) LMNAMAPK1ALDH1A1KMT2ANPC1
SCHEMBL7014934 0.83 ALDH1A1 (0.54) LMNAMAPK1PDE10AALDH1A1MEN1

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