SCHEMBL28577326

SCHEMBL28577326

COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.71
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HTT P42858 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
PKM P14618 1/20 0.66
KDM4E B2RXH2 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 4/20 0.64
EPHX1 P07099 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RORC P51449 1/20 0.58

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
SCHEMBL28577497 0.90 KCNMA1 (0.68) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL28589695 0.89 ALDH1A1 (0.69) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL2070603 0.88 HTT (0.63) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL28579658 0.88 KMT2A (0.67) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL29886513 0.87 EPHX1 (0.78) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL3528493 0.87 EPHX1 (0.78) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL28588057 0.87 MEN1 (0.69) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL7294831 0.86 HTT (0.68) KCNMA1MAPTMEN1KMT2AHTT
Iodide SCHEMBL30758664 0.86 EPHX1 (0.77) KCNMA1MAPTMEN1KMT2AHTT
SCHEMBL16592675 0.85 EPHX1 (0.72) KCNMA1MAPTMEN1KMT2AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061098-B Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-08-30 CN disclosed
CN-113061098-A Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-07-02 CN disclosed