SCHEMBL28629544

SCHEMBL28629544

O=C(NO)c1cccc2cccc(C(=O)NO)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.64
MMP3 P08254 1/20 0.64
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
MPO P05164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
PLAU P00749 1/20 0.49
LMNA P02545 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EGLN2 Q96KS0 1/20 0.45
HDAC6 Q9UBN7 6/20 0.43
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC2 Q92769 5/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 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
SCHEMBL1026340 0.92 HSD17B10 (0.60) HDAC8MMP3KDM4EGAAMPO
SCHEMBL30578752 0.90 MMP3 (0.55) HDAC8MMP3KDM4EGAAMPO
SCHEMBL7949001 0.90 MMP3 (0.55) HDAC8MMP3KDM4EGAAMPO
SCHEMBL25304965 0.88 MMP3 (0.56) HDAC8MMP3KDM4EGAAMPO
SCHEMBL31038451 0.88 MMP3 (0.56) HDAC8MMP3KDM4EGAAMPO
SCHEMBL9399714 0.83 HDAC8 (0.51) HDAC8MMP3KDM4EGAAMPO
SCHEMBL4924169 0.82 NPC1 (0.63) HDAC8MMP3KDM4EGAAMPO
SCHEMBL4925011 0.80 NPC1 (0.55) HDAC8MMP3KDM4EGAAMPO
SCHEMBL4926426 0.80 NPC1 (0.58) HDAC8MMP3KDM4EHSD17B10HDAC6
SCHEMBL4923978 0.80 TP53 (0.51) HDAC8MMP3KDM4EGAAMPO

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-113387812-A Process for preparing (hetero) aromatic polyamines 深圳有为技术控股集团有限公司 2021-09-14 CN disclosed