SCHEMBL28059320

SCHEMBL28059320

O=CN(c1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1cccnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
RAB9A P51151 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 2/20 0.51
ATM Q13315 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.48
DGAT1 O75907 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM1B Q8NB78 2/20 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 0.85 MAPT (0.68) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL28059225 0.84 RAB9A (0.57) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL28059148 0.84 MAPT (0.54) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL28826938 0.83 HDAC8 (0.52) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL1663730 0.82 MAPT (0.62) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL28059289 0.82 MAPT (0.54) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL28059221 0.82 RAB9A (0.54) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL28059242 0.81 HDAC8 (0.54) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL28059163 0.80 MAPT (0.55) MAPTSMN1; SMN2TP53HDAC8HDAC6
SCHEMBL27884842 0.80 HDAC8 (0.53) MAPTSMN1; SMN2TP53HDAC8HDAC6

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