SCHEMBL16619241

SCHEMBL16619241

N#CCOc1ccc(N)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 2/20 0.40
POLB P06746 2/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL16619569 0.81 F2 (0.43) ALDH1A1KDM4EUSP2POLBF2
SCHEMBL4033816 0.79 CYP3A4 (0.42) ALDH1A1KDM4EUSP2POLBALOX5AP
SCHEMBL15650612 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2POLBALOX5AP
SCHEMBL15652028 0.79 ALOX5AP (0.44) ALDH1A1KDM4EUSP2POLBALOX5AP
SCHEMBL29171366 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EUSP2POLBALOX5AP
SCHEMBL4670678 0.78 NCEH1 (0.38) ALDH1A1KDM4EUSP2POLBPLAU
SCHEMBL15651313 0.77 MAPT (0.62) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL15653165 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2POLBALOX5AP
SCHEMBL12833000 0.76 KDM4E (0.35) ALDH1A1KDM4EUSP2POLBALOX5AP
SCHEMBL2912192 0.76 MAPT (0.59) ALDH1A1KDM4EUSP2POLBMYC

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
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed