SCHEMBL28844748

SCHEMBL28844748

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.73
MEN1 O00255 8/20 0.73
GAA P10253 3/20 0.73
PKM P14618 1/20 0.73
MAPT P10636 10/20 0.58
ALDH1A1 P00352 8/20 0.58
LMNA P02545 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
PDE7A Q13946 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MYOC Q99972 1/20 0.48
TBXA2R P21731 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL28953332 0.88 MEN1 (0.75) KMT2AMEN1GAAPKMMAPT
SCHEMBL4740981 0.86 MEN1 (0.54) KMT2AMEN1GAAPKMMAPT
SCHEMBL29251385 0.82 MEN1 (0.53) KMT2AMEN1GAAPKMMAPT
SCHEMBL28880742 0.81 PNLIP (0.52) KMT2AMEN1GAAPKMMAPT
SCHEMBL5170350 0.81 MEN1 (0.48) KMT2AMEN1GAAPKMMAPT
SCHEMBL1532248 0.80 KMT2A (0.59) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL22065253 0.79 MEN1 (0.46) KMT2AMEN1GAAPKMMAPT
SCHEMBL29130767 0.78 MAPT (0.58) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL7125255 0.77 RORC (0.62) KMT2AMEN1GAAPKMMAPT
SCHEMBL810717 0.77 ALDH3A1 (0.51) KMT2AMEN1GAAPKMMAPT

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-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed