SCHEMBL28059237

SCHEMBL28059237

O=CN(C(=O)c1cccs1)c1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
RAB9A P51151 11/20 0.56
NPC1 O15118 9/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
ALDH1A1 P00352 5/20 0.56
TP53 P04637 3/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ATM Q13315 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL1662875 0.85 MAPT (0.70) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8773851 0.84 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27884842 0.83 HDAC8 (0.53) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27868424 0.82 RAB9A (0.71) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1663970 0.79 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1663971 0.78 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1663783 0.78 HDAC8 (0.81) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28059187 0.77 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27868346 0.77 HDAC8 (0.54) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13964718 0.76 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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