SCHEMBL7018385

SCHEMBL7018385

O=c1c2ccccc2nc(C(F)(F)c2ccccc2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KLK7 P49862 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL7016812 0.93 TP53 (0.46) TP53MAPK1ALDH1A1LMNAPOLB
SCHEMBL7100250 0.84 MEN1 (0.60) TP53ALDH1A1LMNAPOLBMEN1
SCHEMBL7020798 0.82 KCNH2 (0.50) TP53
SCHEMBL7014520 0.82 ALDH1A1 (0.52) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7017597 0.82 CXCR3 (0.44) TP53MAPK1ALDH1A1SMN1; SMN2
SCHEMBL7020727 0.82 TP53 (0.41) TP53MAPK1ALDH1A1POLBSMN1; SMN2
SCHEMBL7023261 0.81 ALDH1A1 (0.70) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7013568 0.80 LMNA (0.53) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7104431 0.80 ALDH1A1 (0.50) TP53MAPK1ALDH1A1LMNAMEN1
SCHEMBL7013767 0.80 LMNA (0.53) MAPK1ALDH1A1LMNAMEN1KMT2A

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