SCHEMBL5299588

SCHEMBL5299588

CCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
EEF2K O00418 3/20 0.53
EEF2 P13639 2/20 0.53
PLK4 O00444 1/20 0.53
JAK2 O60674 1/20 0.53
EGFR P00533 1/20 0.53
TYK2 P29597 1/20 0.53
FLT3 P36888 1/20 0.53
BLM P54132 1/20 0.53
ITK Q08881 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
HSP90AA1 P07900 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PON1 P27169 1/20 0.51
APAF1 O14727 1/20 0.50
NPC1 O15118 1/20 0.50
PLA2G1B P04054 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL5288968 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5307707 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5297848 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5295976 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5817321 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5813635 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5284658 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5304014 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5298457 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4
SCHEMBL5302621 1.00 MEN1 (0.53) MEN1KMT2AEEF2KEEF2PLK4

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