SCHEMBL3934905

SCHEMBL3934905

CCCCCCCCCCCCCCCC[n+]1c(C=CC=C2C=CN(CCC[N+](CC)(CC)CC)C=C2)sc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 12/20 0.48
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ APP P05067 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ ITGB2 P05107 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ITGAM P11215 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PRMT1 Q99873 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38

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
SCHEMBL3934901 1.00 INSR (0.48) INSRNPC1RAB9AUSP2MTOR
SCHEMBL5918811 0.95 INSR (0.45) INSRNPC1RAB9AUSP2MTOR
SCHEMBL3932559 0.77 ADRB2 (0.41) INSRNPC1RAB9AUSP2MTOR
SCHEMBL3932561 0.77 ADRB2 (0.41) INSRNPC1RAB9AUSP2MTOR
SCHEMBL3932616 0.77 MEN1 (0.61) INSRNPC1RAB9AUSP2MEN1
SCHEMBL3932615 0.77 MEN1 (0.61) INSRNPC1RAB9AUSP2MEN1
Iodide SCHEMBL5918754 0.76 ADRB2 (0.40) INSRNPC1RAB9AUSP2MTOR
Iodide SCHEMBL18625565 0.75 ADRB2 (0.40) INSRNPC1RAB9AUSP2MTOR
SCHEMBL12235585 0.74 KMT2A (0.42) INSRNPC1RAB9AUSP2MTOR
SCHEMBL3931331 0.74 MEN1 (0.65) NPC1RAB9AUSP2MTORMEN1

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
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