SCHEMBL5299378

SCHEMBL5299378

CCCCCCCCCCCCCCc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
CHKA P35790 4/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTR2A P28223 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.47
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
EGFR P00533 2/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL5295204 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5285170 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5297115 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5286443 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5816940 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5298655 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5283707 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5302138 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5301439 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT
SCHEMBL5811784 1.00 KCNH2 (0.54) KCNH2CHKAALDH1A1LMNAHTT

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