SCHEMBL10673183

SCHEMBL10673183

CCCN(CCC)C(=O)CNc1c(C(=O)OCC)cnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 4/20 0.52
MEN1 O00255 4/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 10/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.46
TP53 P04637 3/20 0.46

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
SCHEMBL10673494 0.93 MAPK1 (0.53) KDM4EKMT2AGAAMEN1MAPK1
Hydrochloric Acid SCHEMBL10676254 0.85 MAPK1 (0.67) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10679446 0.85 MAPK1 (0.70) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10607926 0.85 KDM4E (0.72) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10673454 0.85 MAPT (0.66) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10679109 0.84 MAPT (0.67) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10670514 0.83 KDM4E (0.54) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10678542 0.82 KMT2A (0.67) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10670455 0.82 PDE5A (0.60) KDM4EKMT2AGAAMEN1MAPK1
SCHEMBL10670596 0.79 KDM4E (0.69) KDM4EKMT2AGAAMEN1MAPK1

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
US-4788188-A ANTICONVULSANTS, SEDATIVES, ANXIOLYTIC AGENTS SANOFI (S.A.) (FR) 1988-11-29 US disclosed