SCHEMBL5294907

SCHEMBL5294907

CCCCCCCCCCCCCCCc1cc[n+](CCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ESR1 P03372 3/20 0.53
▸ ADRA2A P08913 3/20 0.53
▸ ADORA3 P0DMS8 3/20 0.53
▸ SLC6A2 P23975 3/20 0.53
▸ SLC6A4 P31645 3/20 0.53
▸ SLC6A3 Q01959 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ TACR2 P21452 2/20 0.53
▸ CHRM2 P08172 2/20 0.53
▸ CHRM1 P11229 2/20 0.53

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
SCHEMBL5308349 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5301137 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5308259 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5817662 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5296534 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5285490 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5286951 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5290239 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5296656 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL5287825 1.00 TP53 (0.55) TP53MEN1CYP1A2CYP2D6MAPT

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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