SCHEMBL10696417

SCHEMBL10696417

N#Cc1nc(-c2ccc(N)cc2)[nH]c1C#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
KDM4E B2RXH2 6/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 6/20 0.44
HPGD P15428 6/20 0.44
RAB9A P51151 5/20 0.44
HSD17B10 Q99714 5/20 0.44
POLB P06746 4/20 0.44
GAA P10253 4/20 0.44
TP53 P04637 4/20 0.44
GFER P55789 3/20 0.44
GLA P06280 3/20 0.44
RECQL P46063 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NT5E P21589 1/20 0.42
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 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
SCHEMBL18402405 0.84 RHEB (0.49) PARP1
SCHEMBL10697336 0.83 ERBB2 (0.47) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL10696735 0.83 ERBB2 (0.47) ALDH1A1MAPTTP53MAPK1PARP1
SCHEMBL28533254 0.83 MMP3 (0.41) ALDH1A1MAPTHPGDGAATP53
SCHEMBL10697291 0.83 ERBB2 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL10695576 0.83 ERBB2 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7074324 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10696383 0.79 HPGD (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10694064 0.79 DGAT1 (0.49) KDM4ENPC1RAB9APOLBGFER
Hydrochloric Acid SCHEMBL10694084 0.78 NOX1 (0.44) KDM4EMAPTNPC1RAB9ATP53

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
EP-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed