SCHEMBL5283071

SCHEMBL5283071

CCCCCCCCCCCCCCCCCc1cccc[n+]1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.56
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
RAD52 P43351 2/20 0.44
KMT2A Q03164 2/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
THRB P10828 1/20 0.44
MCL1 Q07820 1/20 0.44
LIPG Q9Y5X9 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL5298152 1.00 KCNH2 (0.56) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5296480 1.00 KCNH2 (0.56) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1168958 1.00 KCNH2 (0.56) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5298170 1.00 KCNH2 (0.56) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL11544841 0.98 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL8431151 0.98 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3841374 0.98 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4244081 0.98 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL17958819 0.98 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL8983464 0.98 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2KDM4E

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