SCHEMBL5299486

SCHEMBL5299486

CCCCCCCCCCCCCCCCC[n+]1cc[nH]c1CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 4/20 0.41
HTT P42858 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
RAD52 P43351 2/20 0.41
RGS12 O14924 1/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41
MCL1 Q07820 1/20 0.41
OPRM1 P35372 3/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 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
SCHEMBL5291573 1.00 KCNH2 (0.42) KCNH2KDM4ENPC1HTTRAB9A
Hydrochloric Acid SCHEMBL10969524 0.96 KCNH2 (0.44) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL5299591 0.86 KMT2A (0.43) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL16666186 0.86 KMT2A (0.43) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL18341989 0.85 KMT2A (0.40) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL18342039 0.85 KMT2A (0.40) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL17002622 0.85 KMT2A (0.40) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL5292633 0.85 KMT2A (0.40) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL5087442 0.85 KMT2A (0.40) KCNH2KDM4ENPC1HTTRAB9A
SCHEMBL5306990 0.85 KMT2A (0.40) KCNH2KDM4ENPC1HTTRAB9A

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