SCHEMBL16619569

SCHEMBL16619569

N#CCCCOc1ccc(N)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
USP2 O75604 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.37

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
SCHEMBL29720318 0.83 F2 (0.50) F2PLAUST14ALDH1A1MAPT
SCHEMBL16619241 0.81 ALDH1A1 (0.40) F2PLAUST14ALDH1A1MAPT
SCHEMBL4465791 0.80 F2 (0.47) F2PLAUST14ALDH1A1MAPT
SCHEMBL11133841 0.78 KDM4E (0.54) F2PLAUST14ALDH1A1MAPT
SCHEMBL8183595 0.76 F2 (0.44) F2PLAUST14ALDH1A1MAPT
SCHEMBL11708727 0.76 F2 (0.47) F2PLAUST14ALDH1A1MAPT
SCHEMBL28412157 0.75 TSHR (0.53) F2PLAUST14ALDH1A1MAPT
SCHEMBL16619494 0.75 MAPT (0.42) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL22498562 0.75 L3MBTL1 (0.48) F2PLAUST14ALDH1A1MAPT
SCHEMBL20374569 0.74 CYP1A2 (0.69) F2PLAUST14ALDH1A1MAPT

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