SCHEMBL441793

SCHEMBL441793

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
KMT2A Q03164 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 4/20 0.53
POLB P06746 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 3/20 0.46
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.44
MAPK10 P53779 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
DPP4 P27487 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
SCHEMBL436657 0.90 KDM4E (0.59) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL439457 0.87 NPC1 (0.57) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL6201826 0.86 TP53 (0.57) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL437001 0.85 NPC1 (0.55) TP53KMT2ANPC1RAB9ARXFP1
SCHEMBL436954 0.82 HAVCR2 (0.54) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL438821 0.82 KMT2A (0.55) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL441687 0.80 KMT2A (0.62) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL438878 0.79 KMT2A (0.71) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL26167964 0.78 KMT2A (0.56) TP53KMT2ANPC1RAB9AMAPT
SCHEMBL436903 0.77 KMT2A (0.65) TP53KMT2ANPC1RAB9AMAPT

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