SCHEMBL4551174

SCHEMBL4551174

O=C(O)Nc1ccccc1Nc1ccc(N2CCC(O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 2/20 0.47
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
NOTUM Q6P988 1/20 0.43
MCHR1 Q99705 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 2/20 0.42
ME3 Q16798 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
PDE7A Q13946 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
WDR91 A4D1P6 1/20 0.40
PHGDH O43175 1/20 0.40

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
SCHEMBL2409557 0.85 MCHR1 (0.50) MCHR1MAPTNPC1RAB9ALMNA
SCHEMBL12142410 0.74 CDK4 (0.44) STAT6CDK4CCND1CCND2CCND3
SCHEMBL5856552 0.74 KMT2A (0.62) MCHR1MAPTKDM4ENAMPTPDE7A
SCHEMBL17392707 0.74 NOTUM (0.59) NOTUMLMNAL3MBTL1PHGDH
SCHEMBL3436548 0.74 NOTUM (0.59) NOTUMLMNAL3MBTL1PHGDH
SCHEMBL6398487 0.74 NOTUM (0.59) NOTUMLMNAL3MBTL1PHGDH
SCHEMBL2408095 0.72 HDAC1 (0.66) WDR91
SCHEMBL2413063 0.72 HDAC1 (0.66) WDR91
SCHEMBL2408090 0.72 HDAC1 (0.66) WDR91
SCHEMBL2406015 0.72 NAMPT (0.52) MCHR1MAPTNAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134680-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-12-23 EP disclosed
WO-2008109994-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-09-18 WO disclosed