SCHEMBL5305358

SCHEMBL5305358

CCCCCCCCCCCCCCCCCCCn1cc[n+](C)c1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.96
▸ HSP90AA1 P07900 2/20 0.96
▸ KMT2A Q03164 2/20 0.96
▸ SMN1; SMN2 Q16637 2/20 0.96
▸ APAF1 O14727 1/20 0.96
▸ NPC1 O15118 1/20 0.96
▸ PLA2G1B P04054 1/20 0.96
▸ MAPT P10636 1/20 0.96
▸ MAPK1 P28482 1/20 0.96
▸ HTT P42858 1/20 0.96
▸ RAB9A P51151 1/20 0.96
▸ NPSR1 Q6W5P4 1/20 0.96
▸ ATG4B Q9Y4P1 1/20 0.96
▸ FDPS P14324 16/20 0.44
▸ TBXAS1 P24557 1/20 0.44

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
SCHEMBL899203 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL34918 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2890408 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4066192 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL372300 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL92681 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2219975 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL413428 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL15535406 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4061743 1.00 MEN1 (0.96) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 — — WO disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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