SCHEMBL28059148

SCHEMBL28059148

O=CN(c1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccnnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
TP53 P04637 3/20 0.52
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
KDM1B Q8NB78 2/20 0.47
RCOR1 Q9UKL0 2/20 0.47
HTT P42858 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
SCHEMBL28059187 0.90 MAPT (0.68) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL28059240 0.84 MAPT (0.57) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL28059320 0.84 MAPT (0.53) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL1663615 0.84 MAPT (0.70) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL28059225 0.83 RAB9A (0.57) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL28059163 0.83 MAPT (0.55) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL28059289 0.83 MAPT (0.54) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL27868346 0.82 HDAC8 (0.54) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL28826938 0.80 HDAC8 (0.52) MAPTHDAC8HDAC6RAB9ANPC1
SCHEMBL28059242 0.80 HDAC8 (0.54) MAPTHDAC8HDAC6RAB9ANPC1

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
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN disclosed