SCHEMBL29636835

SCHEMBL29636835

CCCCCCNc1ccccc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.49
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.44
NAAA Q02083 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CHRM2 P08172 1/20 0.41
SOAT1 P35610 2/20 0.41
CNR2 P34972 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6568650 1.00 KCNH3 (0.59) KCNH3L3MBTL1EPHX1ALDH1A1HTT
SCHEMBL28403364 1.00 KCNH3 (0.59) KCNH3L3MBTL1EPHX1ALDH1A1HTT
SCHEMBL1851554 0.98 KCNH3 (0.61) KCNH3L3MBTL1EPHX1ALDH1A1HTT
SCHEMBL29734978 0.93 KCNH3 (0.54) KCNH3L3MBTL1ALDH1A1HTTMAPT
SCHEMBL6687184 0.93 KCNH3 (0.54) KCNH3L3MBTL1ALDH1A1HTTMAPT
SCHEMBL30174089 0.87 L3MBTL1 (0.54) KCNH3L3MBTL1EPHX1ALDH1A1HTT
SCHEMBL11266466 0.87 L3MBTL1 (0.54) KCNH3L3MBTL1EPHX1ALDH1A1HTT
SCHEMBL11266453 0.87 L3MBTL1 (0.54) KCNH3L3MBTL1EPHX1ALDH1A1HTT
SCHEMBL8535750 0.87 L3MBTL1 (0.54) KCNH3L3MBTL1EPHX1ALDH1A1HTT
SCHEMBL29813222 0.85 MAPT (0.47) KCNH3L3MBTL1ALDH1A1HTTMAPT

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
CN-114502522-A Methylated quinone and ammonium salt anti-polymerization agent compositions and methods 埃科莱布美国股份有限公司 2022-05-13 CN disclosed