SCHEMBL13201844

SCHEMBL13201844

Clc1nc2ccccc2nc1N/N=C/c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
MAPT P10636 9/20 0.60
HTT P42858 8/20 0.60
KMT2A Q03164 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
LMNA P02545 5/20 0.60
L3MBTL1 Q9Y468 5/20 0.60
PAX8 Q06710 2/20 0.57
RAB9A P51151 6/20 0.54
NPSR1 Q6W5P4 6/20 0.54
NPC1 O15118 6/20 0.54
TDP1 Q9NUW8 6/20 0.54
GAA P10253 5/20 0.54
PKM P14618 4/20 0.54
POLB P06746 4/20 0.54
ALDH1A1 P00352 1/20 0.51
MITF O75030 1/20 0.49
MEN1 O00255 3/20 0.46
MAPK1 P28482 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL2800046 1.00 KDM4E (0.60) KDM4EMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2802250 0.74 KMT2A (0.64) KDM4EMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2800637 0.73 GAA (0.55) KDM4EMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL13201709 0.73 GAA (0.55) KDM4EMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL28170008 0.73 PAX8 (0.58) KDM4EMAPTHTTKMT2ASMN1; SMN2
SCHEMBL1164645 0.72 PAX8 (1.00) KDM4EMAPTHTTKMT2ASMN1; SMN2
SCHEMBL1164644 0.72 PAX8 (1.00) KDM4EMAPTHTTKMT2ASMN1; SMN2
SCHEMBL29692738 0.72 PAX8 (1.00) KDM4EMAPTHTTKMT2ASMN1; SMN2
SCHEMBL28952987 0.72 PAX8 (0.70) KDM4EMAPTHTTKMT2ASMN1; SMN2
SCHEMBL8342118 0.72 PAX8 (0.65) KDM4EMAPTHTTKMT2ASMN1; SMN2

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
US-20100209537-A1 Metal complexes with anticancer activity BANGALORE RAMESH 2010-08-19 US disclosed