SCHEMBL3941898

SCHEMBL3941898

C1=CN(CCC[n+]2ccccc2)c2ccccc2C1=Cc1sc2ccccc2[n+]1CCC[n+]1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
HTT P42858 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
INSR P06213 13/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
BLM P54132 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.31
NR2F2 P24468 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL3941892 1.00 MEN1 (0.34) MEN1HTTKMT2AMAPTSMN1; SMN2
Iodide SCHEMBL5918663 0.99 MEN1 (0.35) MEN1HTTKMT2AMAPTSMN1; SMN2
Iodide SCHEMBL5918658 0.99 MEN1 (0.35) MEN1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL3937983 0.89 NPC1 (0.44) MEN1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL3937994 0.89 NPC1 (0.44) MEN1HTTKMT2AMAPTSMN1; SMN2
Iodide SCHEMBL5918621 0.88 MEN1 (0.46) MEN1HTTKMT2AMAPTSMN1; SMN2
Iodide SCHEMBL5918618 0.88 MEN1 (0.46) MEN1HTTKMT2AMAPTSMN1; SMN2
Iodide SCHEMBL17104719 0.85 MAPT (0.36) MEN1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL13052498 0.82 ALDH1A1 (0.37) MEN1HTTKMT2AMAPTSMN1; SMN2
Iodide SCHEMBL17104727 0.80 CYP2D6 (0.45) MEN1HTTKMT2AMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609459-B1 Use of polycationic compounds for dyeing keratinous fibers OREAL (FR) 2009-04-08 EP disclosed
EP-1609459-A1 Use of polycationic compounds for dyeing keratinous fibers L'OREAL (FR) 2005-12-28 EP disclosed