SCHEMBL12812295

SCHEMBL12812295

CN(C(=O)c1ccc(CN)cc1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
KMT2A Q03164 2/20 0.59
NAMPT P43490 2/20 0.50
MLYCD O95822 1/20 0.49
PDE10A Q9Y233 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HTT P42858 1/20 0.41
MMP13 P45452 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
SCHEMBL29123175 0.83 KDM4E (0.82) KDM4EKMT2ANAMPTMLYCDPDE10A
SCHEMBL7046909 0.81 KMT2A (0.54) KDM4EKMT2APDE10ANR1H4NPC1
Cyclopropane SCHEMBL28956243 0.79 NR1H4 (0.47) KDM4EKMT2ANAMPTTRPV1NR1H4
SCHEMBL95975 0.79 KDM4E (0.65) KDM4EKMT2ANAMPTMLYCDPDE10A
SCHEMBL28816309 0.76 LOXL2 (0.47) KDM4EKMT2AMLYCDLOXL2HSD17B10
SCHEMBL3818379 0.76 LOXL2 (0.55) KDM4ENR1H4LOXL2HDAC3HDAC6
SCHEMBL10801846 0.75 KDM4E (1.00) KDM4EKMT2AMLYCDPDE10AHSD17B10
SCHEMBL15676811 0.75 KMT2A (0.55) KDM4EKMT2ANAMPTMLYCDPDE10A
SCHEMBL14706958 0.75 NAMPT (0.53) KDM4EKMT2ANAMPTMLYCDPDE10A
SCHEMBL16538470 0.74 LOXL2 (0.58) KMT2ALOXL2NPC1RAB9A

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-2011023986-A1 KINASE INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2011-03-03 WO disclosed