SCHEMBL11113617

SCHEMBL11113617

Clc1cc(Cl)cc(NCCCNc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
MAPT P10636 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ICMT O60725 3/20 0.42
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
DRD4 P21917 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11114661 0.86 MAPT (0.65) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11113758 0.86 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL2065279 0.82 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1DRD4
Hydrochloric Acid SCHEMBL3634998 0.80 ALDH1A1 (0.94) ALDH1A1MAPTL3MBTL1DRD4
SCHEMBL11115361 0.79 MAPT (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29727944 0.78 ALDH1A1 (0.90) ALDH1A1MAPTL3MBTL1HPGDDRD4
SCHEMBL11112599 0.78 MAPT (0.52) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL4970157 0.78 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1
SCHEMBL11526524 0.78 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL11115302 0.77 MAPT (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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