SCHEMBL16310249

SCHEMBL16310249

O=Nc1ccc(NCCCO)c2nonc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTM2 P28161 1/20 0.54
▸ BCL6 P41182 1/20 0.43
▸ BCOR Q6W2J9 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ HTT P42858 5/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39

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
SCHEMBL17788964 0.91 GSTM2 (0.47) GSTM2BCL6BCORMEN1KMT2A
SCHEMBL12432365 0.86 GSTM2 (0.42) GSTM2MEN1KMT2AHTTHDAC3
SCHEMBL15507622 0.85 GSTM2 (0.43) GSTM2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12966304 0.84 GSTM2 (0.44) GSTM2MEN1KMT2AHTTHDAC3
SCHEMBL15507618 0.83 HDAC3 (0.47) GSTM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15507466 0.83 HDAC3 (0.47) GSTM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15507616 0.83 HDAC3 (0.47) GSTM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15507465 0.83 HDAC3 (0.47) GSTM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13438510 0.82 GSTM2 (0.39) GSTM2MEN1KMT2AALDH1A1MAPT
SCHEMBL12241928 0.81 GSTM2 (0.44) GSTM2MEN1KMT2AHTTHDAC3

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-2014201405-A1 NOVEL ALLOSTERIC INHIBITORS OF PROTEASOME AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-12-18 — — WO disclosed
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