SCHEMBL7020544

SCHEMBL7020544

O=c1c2c(F)cccc2nc(Cc2ccccc2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.42
TRPV4 Q9HBA0 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNH2 Q12809 1/20 0.37
MLYCD O95822 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL7023775 0.90 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7020014 0.89 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7017651 0.89 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7023691 0.89 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7017347 0.86 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7023261 0.86 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7016856 0.86 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7164258 0.85 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7018038 0.85 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ANPSR1KMT2A
SCHEMBL7148157 0.85 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ANPSR1KMT2A

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