SCHEMBL5300960

SCHEMBL5300960

CCCc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHKA P35790 13/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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 SCHEMBL10669507 0.98 ALDH1A1 (0.56) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5295371 0.89 CHKA (0.53) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL10326023 0.87 CHKA (0.61) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5816547 0.87 CHKA (0.53) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5301439 0.85 KCNH2 (0.54) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5283707 0.85 KCNH2 (0.54) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5302138 0.85 KCNH2 (0.54) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5299378 0.85 KCNH2 (0.54) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5298655 0.85 KCNH2 (0.54) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5285170 0.85 KCNH2 (0.54) CHKAALDH1A1SMN1; SMN2LMNAHTT

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