SCHEMBL28844657

SCHEMBL28844657

NC(=O)Oc1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.63
MEN1 O00255 7/20 0.63
PDE7A Q13946 1/20 0.59
ALDH1A1 P00352 8/20 0.58
GPR55 Q9Y2T6 1/20 0.58
MAPT P10636 5/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
HSP90AA1 P07900 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HGFAC Q04756 1/20 0.49

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
SCHEMBL28844690 0.88 PDE7A (0.71) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL23174950 0.85 MEN1 (0.50) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL3506576 0.83 PDE7A (0.66) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL29130743 0.82 HGFAC (0.62) KMT2AMEN1PDE7AALDH1A1MAPT
SCHEMBL3507438 0.82 MEN1 (0.65) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL4790993 0.82 MAPT (0.71) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL8810667 0.82 PDE7A (0.72) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL2529627 0.81 ALDH1A1 (0.67) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL29251429 0.81 PDE7A (0.54) KMT2AMEN1PDE7AALDH1A1GPR55
SCHEMBL3505195 0.81 ALDH1A1 (0.69) KMT2AMEN1PDE7AALDH1A1GPR55

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