SCHEMBL18707686

SCHEMBL18707686

CCCC[n+]1ccn(Cc2ccc(Cn3cc[n+](CCCC)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5304274 0.92 KDM4E (0.40) MEN1KMT2A
Hydrochloric Acid SCHEMBL23698411 0.91 PON1 (0.41) MEN1CYP1A2CYP2D6MAPTKMT2A
Bromide SCHEMBL15817933 0.91 KDM4E (0.39)
SCHEMBL14721395 0.89 CA1 (0.44)
SCHEMBL5822937 0.87 HRH3 (0.38) TP53
Hydrochloric Acid SCHEMBL19810858 0.87 CA1 (0.46) MAPT
SCHEMBL5048638 0.87 ABCB11 (0.43)
SCHEMBL12746670 0.87 PABPC1 (0.37)
Hydrochloric Acid SCHEMBL11534126 0.87 MEN1 (0.42) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL11535407 0.87

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-20170095784-A1 LAYERED SUBSTANCE-CONTAINING LIQUID AND METHOD FOR PRODUCING SAME ADEKA CORPORATION (JP) 2017-04-06 US disclosed