SCHEMBL27583161

SCHEMBL27583161

CCOC(=O)C(N)Cc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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 0.87 KMT2A (0.49) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL27600451 0.87 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8650221 0.86 MAPT (0.49) MAPTALDH1A1TSHRCYP3A4MEN1
SCHEMBL6762820 0.85 GRIA2 (0.50) TSHRCYP3A4
SCHEMBL8529545 0.84 L3MBTL1 (0.48) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8529543 0.84 L3MBTL1 (0.48) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL27583162 0.83 MAPT (0.44) MAPTALDH1A1TSHRCYP3A4MEN1
SCHEMBL28752139 0.80 MEN1 (0.44) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL28749966 0.80 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8649477 0.79 L3MBTL1 (0.49) MAPTALDH1A1TSHRCYP3A4MEN1

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