SCHEMBL7100250

SCHEMBL7100250

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
HSP90AA1 P07900 1/20 0.60
ALDH1A1 P00352 8/20 0.59
GAA P10253 2/20 0.57
POLB P06746 1/20 0.54
AKT1 P31749 2/20 0.54
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.50
G6PD P11413 1/20 0.49
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL7018385 0.84 TP53 (0.46) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL7016812 0.84 TP53 (0.46) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL14571460 0.81 KMT2A (0.80) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL7103501 0.81 ALDH1A1 (0.61) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL7014520 0.81 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7020798 0.81 KCNH2 (0.50) TP53KCNH2HRH3
SCHEMBL7017597 0.81 CXCR3 (0.44) ALDH1A1TP53
SCHEMBL31277320 0.80 KMT2A (0.70) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL7023261 0.80 ALDH1A1 (0.70) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7011889 0.80 ALDH1A1 (0.63) KMT2AMAPTALDH1A1RAB9ANPSR1

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