SCHEMBL9017230

SCHEMBL9017230

Nc1cc2c3c(cc([N+](=O)[O-])cc3c1)C(=O)N(CCN(CCO)CCO)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.53
PABPC1 P11940 2/20 0.53
LCK P06239 3/20 0.52
MEN1 O00255 6/20 0.49
POLB P06746 6/20 0.49
KMT2A Q03164 6/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
TNNI3 P19429 1/20 0.49
MAPK1 P28482 1/20 0.49
STAT6 P42226 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
CYP2D6 P10635 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 2/20 0.44
RAB9A P51151 2/20 0.44
S1PR1 P21453 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9017143 0.94 LCK (0.51) FTOPABPC1LCKMEN1POLB
SCHEMBL9017118 0.88 MEN1 (0.65) FTOPABPC1LCKMEN1POLB
SCHEMBL9017071 0.85 FTO (0.71) FTOPABPC1LCKMEN1POLB
SCHEMBL9017104 0.82 FTO (0.53) FTOPABPC1LCKMEN1POLB
SCHEMBL10340122 0.80 FTO (0.63) FTOPABPC1LCKMEN1POLB
Hydrochloric Acid SCHEMBL10340360 0.79 FTO (0.62) FTOPABPC1LCKMEN1POLB
SCHEMBL9017108 0.78 NTRK1 (0.43) FTOPABPC1LCKMEN1POLB
Mitonafide SCHEMBL5781995 0.78 FTO (0.88) FTOPABPC1LCKMEN1POLB
SCHEMBL9017063 0.77 MEN1 (0.72) FTOPABPC1LCKMEN1POLB
SCHEMBL7712243 0.77 FTO (0.81) FTOPABPC1LCKMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552544-A 5-nitrobenzo[de]isoquinoline-1,3-diones their preparation and their use KNOLL AG (DE) 1996-09-03 US disclosed
EP-0268093-B1 5-Nitrobenzo[de]isoquinoline-1,3 diones, their preparation and use KNOLL AG (DE) 1992-05-13 EP disclosed
EP-0268093-A1 5-Nitrobenzo[de]isoquinoline-1,3 diones, their preparation and use KNOLL AG (DE) 1988-05-25 EP disclosed