SCHEMBL31395487

SCHEMBL31395487

CC(=O)c1ccc2cc(CN=[N+]=[N-])ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14270199 0.84 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31395267 0.84 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31395679 0.82 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14278613 0.81 MAOB (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31395452 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31395332 0.79 MAPT (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30489877 0.78 HDAC3 (0.35) CYP2A6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10306521 0.77 KMT2A (0.63) CYP2A6KMT2AHPGDALDH1A1MAPT
SCHEMBL28313779 0.75 CYP2A6 (0.48) CYP2A6KMT2A
SCHEMBL23332977 0.75 CYP2A6 (0.52) CYP2A6KMT2AHPGDALDH1A1MAPT

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