SCHEMBL31395433

SCHEMBL31395433

[N-]=[N+]=NCc1ccc(Oc2ccc(C(=O)C=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SRD5A2 P31213 4/20 0.41
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
PARP10 Q53GL7 2/20 0.36
MMP13 P45452 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35

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
SCHEMBL31395332 0.82 MAPT (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31395654 0.81 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15590855 0.81 ST14 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31395679 0.80 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11636719 0.78 ALDH1A1 (0.56) SRD5A2ALDH1A1MAPK1TDP1HPGD
SCHEMBL31395502 0.76 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21594394 0.75 LTA4H (0.50) SRD5A2TSHR
SCHEMBL25137175 0.74 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14270199 0.72 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14270206 0.72 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6

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-119470907-A Application of glyoxal-based compound in preparation of probe 深圳湾实验室 2025-02-18 CN disclosed