SCHEMBL436657

SCHEMBL436657

CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1N

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
MAPT P10636 3/20 0.59
TP53 P04637 3/20 0.59
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPK10 P53779 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL441793 0.90 TP53 (0.56) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL438821 0.90 KMT2A (0.55) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL440425 0.82 KMT2A (0.68) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL437101 0.80 KMT2A (0.65) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL440854 0.80 AURKA (0.57) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL436903 0.80 KMT2A (0.65) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL441687 0.80 KMT2A (0.62) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL438978 0.79 HAVCR2 (0.64) KDM4EMAPTTP53KMT2ASMN1; SMN2
SCHEMBL439457 0.79 NPC1 (0.57) KDM4EMAPTTP53KMT2ANPC1
SCHEMBL26167964 0.78 KMT2A (0.56) KDM4EMAPTTP53KMT2ANPC1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed