SCHEMBL3937994

SCHEMBL3937994

CN1C=CC(=Cc2sc3ccccc3[n+]2CCC[n+]2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 4/20 0.44
HTT P42858 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.44
BLM P54132 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
INSR P06213 13/20 0.36
GAA P10253 1/20 0.33
NR2F2 P24468 1/20 0.33
RAD52 P43351 1/20 0.33
USP2 O75604 1/20 0.33
MTOR P42345 1/20 0.33
APAF1 O14727 1/20 0.33

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
SCHEMBL3937983 1.00 NPC1 (0.44) NPC1RAB9AMEN1HTTKMT2A
Iodide SCHEMBL5918621 0.99 MEN1 (0.46) NPC1RAB9AMEN1HTTKMT2A
Iodide SCHEMBL5918618 0.99 MEN1 (0.46) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL3941898 0.89 MEN1 (0.34) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL3941892 0.89 MEN1 (0.34) NPC1RAB9AMEN1HTTKMT2A
Iodide SCHEMBL5918663 0.88 MEN1 (0.35) NPC1RAB9AMEN1HTTKMT2A
Iodide SCHEMBL5918658 0.88 MEN1 (0.35) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL13052529 0.86 CYP2D6 (0.42) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL18034219 0.86 ALDH1A1 (0.42) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL26023228 0.85 CYP2D6 (0.41) NPC1RAB9AMEN1HTTKMT2A

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