SCHEMBL7436698

SCHEMBL7436698

COc1ccc(CC(C(=O)O)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
POLB P06746 3/20 0.54
KMT2A Q03164 3/20 0.54
TNF P01375 1/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
AADAT Q8N5Z0 1/20 0.44
ATM Q13315 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL18262723 0.82 KMT2A (0.77) L3MBTL1POLBKMT2ATNFALDH1A1
SCHEMBL18262720 0.82 KMT2A (0.77) L3MBTL1POLBKMT2ATNFALDH1A1
SCHEMBL6693790 0.80 TNF (0.65) L3MBTL1POLBKMT2ATNFALDH1A1
SCHEMBL31259790 0.79 TNF (0.51) POLBKMT2ATNFALDH1A1GAA
SCHEMBL6260167 0.79 TNF (0.53) POLBKMT2ATNFALDH1A1GAA
SCHEMBL31259808 0.78 TNF (0.50) KMT2ATNFALDH1A1GAAMEN1
SCHEMBL8534121 0.78 TNF (0.49) POLBKMT2ATNFALDH1A1GAA
SCHEMBL2167750 0.77 ALDH1A1 (0.64) POLBKMT2ATNFALDH1A1GAA
SCHEMBL15930057 0.77 ALDH1A1 (0.64) POLBKMT2ATNFALDH1A1GAA
SCHEMBL6255431 0.77 TNF (0.53) KMT2ATNFALDH1A1GAAMAPT

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
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed