SCHEMBL5301497

SCHEMBL5301497

CCC(CCc1ccccc1)[n+]1cc[nH]c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ MC4R P32245 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 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
SCHEMBL5295924 0.89 SIGMAR1 (0.38) TP53MEN1HTTKMT2ASMN1; SMN2
SCHEMBL5299814 0.87 SIGMAR1 (0.37) SIGMAR1
SCHEMBL5811778 0.85 SIGMAR1 (0.39) MEN1KMT2AHPGDSIGMAR1
SCHEMBL5818768 0.84 CSNK1E (0.39) MEN1KMT2ASIGMAR1
SCHEMBL5300705 0.84 CSNK1E (0.39) MEN1KMT2ASIGMAR1
SCHEMBL5305293 0.84 CSNK1E (0.39) MEN1KMT2ASIGMAR1
SCHEMBL5287873 0.84 CSNK1E (0.39) MEN1KMT2ASIGMAR1
SCHEMBL5292848 0.84 CSNK1E (0.39) MEN1KMT2ASIGMAR1
SCHEMBL5815845 0.84 CSNK1E (0.39) MEN1KMT2ASIGMAR1
SCHEMBL5283847 0.84 CSNK1E (0.39) MEN1KMT2ASIGMAR1

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
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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