SCHEMBL440425

SCHEMBL440425

CCOC(=O)c1cnc2c(Cl)cccc2c1N

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
HAVCR2 Q8TDQ0 1/20 0.65
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AURKB Q96GD4 1/20 0.46
THRB P10828 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
SCHEMBL2017369 0.87 KMT2A (0.71) KMT2ANPC1RAB9AHAVCR2MEN1
SCHEMBL438878 0.87 KMT2A (0.71) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL4152010 0.86 KMT2A (0.56) KMT2ANPC1RAB9AHAVCR2MEN1
SCHEMBL440812 0.86 KMT2A (0.70) KMT2ANPC1RAB9AHAVCR2MEN1
SCHEMBL4011505 0.85 KMT2A (0.55) KMT2ANPC1RAB9AHAVCR2MEN1
SCHEMBL10126200 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL437697 0.85 KMT2A (0.68) KMT2ANPC1RAB9AHAVCR2MEN1
SCHEMBL437101 0.85 KMT2A (0.65) KMT2ANPC1RAB9AHAVCR2MEN1
SCHEMBL436903 0.85 KMT2A (0.65) KMT2ANPC1RAB9AHAVCR2MEN1
SCHEMBL440043 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1SMN1; 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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed