SCHEMBL5300312

SCHEMBL5300312

CCCCCCCCCCCc1cccc[n+]1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.50
EEF2 P13639 2/20 0.50
KCNH2 Q12809 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PLK4 O00444 1/20 0.50
JAK2 O60674 1/20 0.50
EGFR P00533 1/20 0.50
TYK2 P29597 1/20 0.50
FLT3 P36888 1/20 0.50
BLM P54132 1/20 0.50
ITK Q08881 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNA3 P22001 1/20 0.41
APAF1 O14727 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL5297200 1.00 EEF2K (0.50) EEF2KEEF2KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL1072630 0.98 MEN1 (0.49) EEF2KEEF2KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL16144878 0.98 MEN1 (0.49) EEF2KEEF2KCNH2MEN1KMT2A
SCHEMBL12558271 0.86 CYP2D6 (0.46) EEF2KEEF2KCNH2MEN1KMT2A
SCHEMBL5297992 0.84 KCNH2 (0.49) KCNH2MEN1KMT2AEGFRSIGMAR1
SCHEMBL5295154 0.84 KCNH2 (0.49) KCNH2MEN1KMT2AEGFRSIGMAR1
SCHEMBL1168958 0.83 KCNH2 (0.56) KCNH2MEN1KMT2ACYP2D6CYP2C19
SCHEMBL5298152 0.83 KCNH2 (0.56) KCNH2MEN1KMT2ACYP2D6CYP2C19
SCHEMBL5283071 0.83 KCNH2 (0.56) KCNH2MEN1KMT2ACYP2D6CYP2C19
SCHEMBL5298170 0.83 KCNH2 (0.56) KCNH2MEN1KMT2ACYP2D6CYP2C19

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 1 patent. 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