SCHEMBL5304924

SCHEMBL5304924

CCc1cc[n+](Cc2ccccc2)cc1CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ACHE P22303 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ BCHE P06276 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
Hydrochloric Acid SCHEMBL11483900 0.98 LMNA (0.51) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL31652036 0.86 ACHE (0.48) CHKAALDH1A1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL10670016 0.84 ALDH1A1 (0.50) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5288484 0.82 CHKA (0.46) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5294209 0.80 CHRNA7 (0.47) HTTTP53ACHEBCHEMEN1
SCHEMBL5295886 0.80 CHKA (0.44) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5298333 0.78 HTT (0.42) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5304667 0.78 TP53 (0.64) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5298914 0.77 HTT (0.42) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5292346 0.77 HTT (0.42) CHKAALDH1A1LMNASMN1; SMN2HTT

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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