SCHEMBL9720669

SCHEMBL9720669

CCCCCCCCCCCCCCCCCC(C)(C)C(N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
CSNK1E P49674 1/20 0.40
NAAA Q02083 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
ASAH1 Q13510 1/20 0.37
MAPK1 P28482 1/20 0.37
RIPK1 Q13546 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SLC2A1 P11166 1/20 0.36
CYP19A1 P11511 2/20 0.36

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
SCHEMBL3520072 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
SCHEMBL9720865 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
SCHEMBL4801716 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
SCHEMBL4803907 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4799254 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL1170862 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4618491 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL6122957 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL11785349 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Bromide SCHEMBL10626002 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328466-B1 EMULSIFIABLE CONCENTRATES OF BIOCIDAL MATERIALS, AQUEOUS MICROEMULSIONS OBTAINED AND USE OF THESE MICROEMULSIONS IN THE TREATMENT OF WOOD XYLOCHIMIE (FR) 1992-04-29 EP disclosed
US-5013748-A Triazole, quaternary ammonium and benzimidazole fungicides XYLOCHIMIE (FR) 1991-05-07 US disclosed
EP-0328466-A1 Emulsifiable concentrates of biocidal materials, aqueous microemulsions obtained and use of these microemulsions in the treatment of wood XYLOCHIMIE (FR) 1989-08-16 EP disclosed