SCHEMBL436903

SCHEMBL436903

CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MEN1 O00255 2/20 0.60
PKM P14618 1/20 0.60
MAPT P10636 3/20 0.59
THRB P10828 1/20 0.59
TP53 P04637 1/20 0.59
GAA P10253 1/20 0.53
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.48
HAVCR2 Q8TDQ0 1/20 0.48
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL437101 0.90 KMT2A (0.65) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL439469 0.87 KMT2A (0.67) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL440425 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL436629 0.85 KMT2A (0.65) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL437260 0.84 HAVCR2 (0.67) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL437796 0.82 NPC1 (0.54) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL440196 0.80 NPC1 (0.52) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL438821 0.80 KMT2A (0.55) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL436657 0.80 KDM4E (0.59) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL440533 0.80 KMT2A (0.65) KMT2ANPC1RAB9AMEN1MAPT

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