SCHEMBL4073782

SCHEMBL4073782

NNC(=O)c1ccc(N2CCC(C(=O)NN)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.48
▸ ME3 Q16798 1/20 0.48
▸ AOC2 O75106 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ USP2 O75604 1/20 0.45
▸ HDAC3 O15379 4/20 0.45
▸ HDAC8 Q9BY41 4/20 0.45
▸ MPO P05164 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ DEGS1 O15121 2/20 0.43

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
SCHEMBL28184738 0.86 SMN1; SMN2 (0.48) ME3KDM4EUSP2
SCHEMBL3085835 0.84 AOC2 (0.59) SMYD3AOC2HDAC6KDM4EUSP2
SCHEMBL30476653 0.80 HDAC6 (0.71) SMYD3AOC2HDAC6KDM4EUSP2
SCHEMBL1164809 0.79 CHRM4 (0.53) ME3KDM4E
Hydrochloric Acid SCHEMBL25319983 0.79 HDAC6 (0.69) SMYD3AOC2HDAC6KDM4EUSP2
SCHEMBL7337653 0.79 HDAC6 (0.69) SMYD3AOC2HDAC6KDM4EUSP2
SCHEMBL15056065 0.78 MAPT (0.67) —
SCHEMBL13558242 0.78 USP2 (0.55) SMYD3AOC2HDAC6KDM4EUSP2
SCHEMBL12524169 0.78 HDAC6 (0.61) AOC2HDAC6KDM4EHDAC3HDAC8
SCHEMBL6134717 0.77 ITGB3 (0.52) SMYD3HDAC6KDM4EHDAC3HDAC8

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
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