SCHEMBL2016412

SCHEMBL2016412

Nc1nc(N)c(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SCNN1A P37088 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 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
SCHEMBL2015349 0.88 HTT (0.57) TP53SMN1; SMN2POLBLMNAMEN1
SCHEMBL2052007 0.87 MAPT (0.57) TP53MAPTSMN1; SMN2POLBLMNA
SCHEMBL2018696 0.87 MEN1 (0.65) TP53MAPTSMN1; SMN2POLBLMNA
SCHEMBL2014088 0.87 LMNA (0.65) TP53SMN1; SMN2POLBLMNAMEN1
SCHEMBL2018182 0.85 MEN1 (0.52) TP53SMN1; SMN2POLBLMNAMEN1
SCHEMBL20209486 0.84 MAPT (0.52) TP53MAPTSMN1; SMN2POLBLMNA
SCHEMBL29625044 0.84 MAPT (0.52) TP53MAPTSMN1; SMN2POLBLMNA
SCHEMBL2018051 0.83 TP53 (0.45) TP53MAPTSMN1; SMN2LMNAMEN1
SCHEMBL2016076 0.83 MEN1 (0.50) TP53SMN1; SMN2POLBLMNAMEN1
SCHEMBL12636316 0.80 SCNN1A (0.45) MAPTSMN1; SMN2LMNASCNN1AKDM4E

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed