SCHEMBL10679446

SCHEMBL10679446

CCCN(CCC)C(=O)CNc1c(C(=O)OCC)cnc2ccc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.70
GAA P10253 4/20 0.67
RXFP1 Q9HBX9 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
AURKB Q96GD4 2/20 0.55
AURKA O14965 1/20 0.55
MAPT P10636 7/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 3/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 3/20 0.48

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
Hydrochloric Acid SCHEMBL10676254 0.89 MAPK1 (0.67) MAPK1GAARXFP1NPSR1KDM4E
Water SCHEMBL10680272 0.89 MAPK1 (0.53) MAPK1GAARXFP1NPSR1KDM4E
SCHEMBL10607926 0.88 KDM4E (0.72) MAPK1GAARXFP1NPSR1KDM4E
SCHEMBL10673454 0.88 MAPT (0.66) MAPK1GAARXFP1NPSR1KDM4E
SCHEMBL10679109 0.87 MAPT (0.67) MAPK1GAANPSR1KDM4EMEN1
SCHEMBL10670514 0.86 KDM4E (0.54) MAPK1GAARXFP1NPSR1KDM4E
SCHEMBL10678542 0.85 KMT2A (0.67) MAPK1GAARXFP1NPSR1KDM4E
SCHEMBL10670455 0.85 PDE5A (0.60) MAPK1GAARXFP1NPSR1KDM4E
SCHEMBL531233 0.85 MAPK1 (0.81) MAPK1GAARXFP1NPSR1KDM4E
SCHEMBL10673183 0.85 KDM4E (0.52) MAPK1GAARXFP1NPSR1KDM4E

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