SCHEMBL11115579

SCHEMBL11115579

COc1ccc(NCCCCl)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPX4 P36969 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 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
SCHEMBL14059353 0.84 GAA (0.50) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL28103035 0.83 HTT (0.52) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL7838158 0.83 MAPT (0.49) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL11114332 0.83 KDM4E (0.58) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL11162245 0.81 MAPT (0.57) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL3821707 0.80 MAPT (0.53) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL11935559 0.80 MAPT (0.47) MAPTKDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL10440705 0.80 HTT (0.54) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL8348474 0.79 KDM4E (0.51) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL10845913 0.79 KDM4E (0.51) MAPTKDM4EALDH1A1GAAKMT2A

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-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed