SCHEMBL7438680

SCHEMBL7438680

COc1ccccc1C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 1/20 0.50
POLB P06746 2/20 0.48
TNF P01375 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
APEX1 P27695 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 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
SCHEMBL5997994 0.75 ATM (0.52) L3MBTL1ATMPOLBTNFMAPT
SCHEMBL29217854 0.75 CA1 (0.55) ATMMAPTALDH1A1TDP1LMNA
SCHEMBL4234439 0.72 ATM (0.68) ATMPOLBMAPTALDH1A1TDP1
SCHEMBL29922957 0.72 ATM (0.68) ATMPOLBMAPTALDH1A1TDP1
SCHEMBL5997917 0.72 MAPT (0.49) L3MBTL1ATMMAPTALDH1A1TDP1
SCHEMBL5998700 0.71 ALDH1A1 (0.46) L3MBTL1ATMPOLBTNFMAPT
SCHEMBL4375792 0.71 CA1 (0.59) ATMMAPTALDH1A1TDP1LMNA
SCHEMBL30050782 0.71 CA1 (0.59) ATMMAPTALDH1A1TDP1LMNA
SCHEMBL4235928 0.70 ALDH1A1 (0.60) L3MBTL1ATMPOLBMAPTALDH1A1
SCHEMBL14348204 0.70 CA1 (0.73) L3MBTL1ATMPOLBMAPTTDP1

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