SCHEMBL5297992

SCHEMBL5297992

CCCCCCCc1cccc[n+]1CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAD52 P43351 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2A P28223 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HSD11B1 P28845 1/20 0.42

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
SCHEMBL5295154 1.00 KCNH2 (0.49) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5306002 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL8770119 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5813277 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5814592 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5301515 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5306241 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5304152 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5298123 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12
SCHEMBL5306174 0.89 KCNH2 (0.55) KCNH2KDM4ELMNAMEN1RGS12

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