SCHEMBL29024930

SCHEMBL29024930

COC(=O)c1cnc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
HSP90AA1 P07900 1/20 0.58
PKM P14618 1/20 0.58
PAX8 Q06710 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
F10 P00742 1/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
P2RX1 P51575 2/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
PTGS2 P35354 1/20 0.45
STK39 Q9UEW8 1/20 0.45
PPARG P37231 8/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL29024921 0.82 MAPT (0.60) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL29024929 0.79 NPC1 (0.57) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL30503654 0.79 NPC1 (0.57) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL17699318 0.72 KMT2A (0.74) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL24460423 0.72 KMT2A (0.63) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL391334 0.72 L3MBTL1 (0.62) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL29448257 0.72 L3MBTL1 (0.62) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL12133505 0.71 PDGFRB (0.61) MEN1KMT2AMAPTNPC1PLAU
SCHEMBL25353807 0.70 KMT2A (0.60) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL10466162 0.70 HTT (0.67) MAPTNPC1ALDH1A1

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-116354879-A Benzamide derivative and application thereof 中国药科大学 2023-06-30 CN disclosed