SCHEMBL2229784

SCHEMBL2229784

[CH2]C#CCNc1cccc(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HTT P42858 1/20 0.60
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.41
GRM5 P41594 1/20 0.40
ACHE P22303 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL966994 0.84 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL969414 0.84 CYP1A2 (0.58) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL968474 0.78 GRM5 (0.47) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL29712668 0.77 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL4815949 0.77 MAPT (0.64) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9781825 0.77 CYP1A2 (0.64) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL969407 0.77 MAPT (0.64) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11269588 0.77 MAPT (0.64) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL10727579 0.76 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9396667 0.76 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376450-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
EP-2347653-A2 Animal ectoparasite control composition Sumitomo Chemical Company, Limited (JP) 2011-07-27 EP disclosed
EP-2265569-A2 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2010-12-29 EP disclosed
WO-2010074327-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 WO disclosed
EP-2162429-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-03-17 EP disclosed
WO-2009116687-A2 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed
WO-2009005110-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 WO disclosed