SCHEMBL438198

SCHEMBL438198

CCOC(=O)c1cnc2ccc(C)cc2c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.63
MAPT P10636 6/20 0.62
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
GAA P10253 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
KDM4E B2RXH2 3/20 0.60
ATM Q13315 2/20 0.60
NMT1 P30419 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
AURKB Q96GD4 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54

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
SCHEMBL437947 0.88 KMT2A (0.53) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL437781 0.87 MAPT (0.61) MAPTKMT2AMEN1GAANPSR1
SCHEMBL439008 0.87 NMT2 (0.60) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL439271 0.87 MAPK1 (0.65) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL441687 0.87 KMT2A (0.62) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL438203 0.86 MAPT (0.62) MAPTKMT2AMEN1GAANPSR1
SCHEMBL1467161 0.85 MAPK1 (0.65) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL1467189 0.84 MAPK1 (0.63) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL621322 0.84 NMT1 (0.54) MAPTKMT2AMEN1GAANPSR1
SCHEMBL620981 0.84 NMT1 (0.53) MAPK1MAPTKMT2AMEN1GAA

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