SCHEMBL28752139

SCHEMBL28752139

CCOC(=O)C(N)Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK1 Q15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
KCNMA1 Q12791 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
GRIA2 P42262 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL27600605 0.90 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9197847 0.85 MEN1 (0.44) MEN1KMT2APDK1ALDH1A1MAPT
SCHEMBL28749966 0.85 ALDH1A1 (0.43) MEN1KMT2APDK1ALDH1A1MAPT
SCHEMBL652018 0.83 GRIA2 (0.56) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL28752141 0.82 GAA (0.43) MEN1KMT2APDK1ALDH1A1MAPT
SCHEMBL8529543 0.82 L3MBTL1 (0.48) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL8529545 0.82 L3MBTL1 (0.48) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL28900016 0.81 L3MBTL1 (0.48) MEN1KMT2APDK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL27558225 0.80 CYP3A4 (0.57) CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL27578134 0.80 CYP3A4 (0.57) CYP3A4CYP2C9

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-1476446-A Benzodiazepine derivative ֮����ʽ���� 2004-02-18 CN disclosed