SCHEMBL30701883

SCHEMBL30701883

O=C(Nc1cccc(CO)c1)c1cccc(NC(=O)c2ccco2)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
POLB P06746 2/20 0.76
KCNK3 O14649 2/20 0.72
KCNK9 Q9NPC2 2/20 0.72
LMNA P02545 4/20 0.71
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 1/20 0.70
RAB9A P51151 2/20 0.67
BLM P54132 1/20 0.67
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
SIRT6 Q8N6T7 1/20 0.65
SIRT3 Q9NTG7 1/20 0.65
NPC1 O15118 1/20 0.64
MAPT P10636 3/20 0.63
ADRB2 P07550 1/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.61

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
SCHEMBL29106508 1.00 MEN1 (0.76) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL18906010 0.93 ALDH1A1 (0.68) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL5335860 0.85 KMT2A (0.62) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL29106507 0.84 MEN1 (0.71) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL18906020 0.83 RAB9A (0.79) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL8353423 0.83 LMNA (1.00) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL14825086 0.83 KCNK3 (0.79) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL23011774 0.82 ALDH1A1 (0.84) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL3647261 0.82 MAPK1 (0.76) MEN1KMT2APOLBKCNK3KCNK9
SCHEMBL17712444 0.81 KMT2A (1.00) MEN1KMT2APOLBKCNK3KCNK9

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-113717133-B 3-amido-N-aryl benzamide compound and application thereof 浙江大学 2023-11-17 CN disclosed