SCHEMBL5299708

SCHEMBL5299708

CCCCC[n+]1ccc(CCCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CHRM2 P08172 2/20 0.54
ADRA2A P08913 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
CHRM1 P11229 2/20 0.54
ACHE P22303 2/20 0.54
SLC6A2 P23975 2/20 0.54

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
Fluoride Ion SCHEMBL30212996 0.98 KMT2A (0.61) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5306050 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5300610 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5291016 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5303937 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5291708 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5290223 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5293245 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5296726 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5288547 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2

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