SCHEMBL13074283

SCHEMBL13074283

COc1ccc(N(CC(C)C)C(=O)Nc2ccccc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.51
LMNA P02545 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
STAT1 P42224 1/20 0.45
FPR2 P25090 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 2/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL8347783 0.86 MEN1 (0.65) QPCTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12963493 0.84 MEN1 (0.51) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12933367 0.83 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8345899 0.79 MCHR1 (0.56) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12963481 0.77 MCHR1 (0.54) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12933366 0.76 MCHR1 (0.48) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12963479 0.73 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL12933363 0.72 IMPDH2 (0.54) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL12963485 0.72 MAPT (0.52) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1064792 0.72 HDAC1 (0.61)

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-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed