SCHEMBL7015668

SCHEMBL7015668

COc1cc2nc(Cc3ccccc3)n(-c3cccc(C(O)(C(F)(F)F)C(F)(F)F)c3)c(=O)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE10A Q9Y233 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CCKBR P32239 1/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL7018241 0.95 ALDH1A1 (0.50) ALDH1A1LMNANPC1RAB9APDE10A
SCHEMBL7015042 0.94 ALDH1A1 (0.49) ALDH1A1LMNANPC1RAB9APDE10A
SCHEMBL7019358 0.94 ALDH1A1 (0.49) ALDH1A1LMNANPC1RAB9APDE10A
SCHEMBL7025087 0.93 ALDH1A1 (0.48) ALDH1A1LMNANPC1RAB9APDE10A
SCHEMBL7023046 0.93 ALDH1A1 (0.48) ALDH1A1LMNANPC1RAB9APDE10A
SCHEMBL7016625 0.93 LMNA (0.47) ALDH1A1LMNANPC1RAB9APDE10A
SCHEMBL7018711 0.93 ALDH1A1 (0.49) ALDH1A1LMNAPDE10AUSP2
SCHEMBL7015531 0.92 ALDH1A1 (0.43) ALDH1A1LMNANPC1RAB9APDE10A
SCHEMBL5062276 0.91 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APDE10APDE3B
SCHEMBL7023607 0.89 ALDH1A1 (0.56) ALDH1A1LMNANPC1RAB9ACCKBR

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