SCHEMBL13438510

SCHEMBL13438510

NCCNc1ccc(N=O)c2nonc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTM2 P28161 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ HDAC3 O15379 3/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC7 Q8WUI4 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC10 Q969S8 3/20 0.33
▸ HDAC11 Q96DB2 3/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC9 Q9UKV0 3/20 0.33
▸ HDAC5 Q9UQL6 3/20 0.33
▸ IDO1 P14902 3/20 0.33

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
SCHEMBL12432365 0.91 GSTM2 (0.42) GSTM2RECQLMEN1USP2HTT
SCHEMBL12966304 0.90 GSTM2 (0.44) GSTM2RECQLMEN1USP2HTT
SCHEMBL16310249 0.82 GSTM2 (0.54) GSTM2MAPTRECQLMEN1USP2
SCHEMBL12241928 0.78 GSTM2 (0.44) GSTM2RECQLMEN1USP2HTT
SCHEMBL15507621 0.78 MEN1 (0.36) GSTM2RECQLMEN1USP2HTT
SCHEMBL15507466 0.77 HDAC3 (0.47) GSTM2MEN1KMT2AHRH3HDAC3
SCHEMBL15507618 0.77 HDAC3 (0.47) GSTM2MEN1KMT2AHRH3HDAC3
SCHEMBL15507465 0.77 HDAC3 (0.47) GSTM2MEN1KMT2AHRH3HDAC3
SCHEMBL15507616 0.77 HDAC3 (0.47) GSTM2MEN1KMT2AHRH3HDAC3
SCHEMBL21581865 0.76 ALDH1A1 (0.36) GSTM2MAPTRECQLKMT2AHDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724434-B2 Lysine oligomer derivative and cartilage tissue marker made thereof NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2017-08-08 — — US disclosed
US-7704543-B2 Conversion of amine- to carboxyl groups on solid surfaces ILLUMINA CAMBRIDGE LIMITED (GB) 2010-04-27 — — US disclosed
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