SCHEMBL4074336

SCHEMBL4074336

COc1cc(C=NNC(=O)CCCNc2ccc(C(=O)NN=Cc3cc(OC)cc(OC)c3)cc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ASF1A Q9Y294 4/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
MIF P14174 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MGAM O43451 1/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ROCK2 O75116 1/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL13569076 1.00 MAPT (0.53) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL13568976 0.95 MAPT (0.49) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL4075244 0.94 MAPT (0.50) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL4071500 0.92 MAPT (0.64) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL13568905 0.92 MAPT (0.64) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL6119459 0.91 ASF1A (0.47) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL6119480 0.91 ASF1A (0.47) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL27937023 0.90 ASF1A (0.51) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL13568986 0.89 MAPT (0.63) MAPTSMN1; SMN2ASF1AKMT2AMEN1
SCHEMBL13568931 0.89 MIF (0.57) MAPTSMN1; SMN2KMT2AMEN1MIF

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
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed