SCHEMBL11118699

SCHEMBL11118699

ClCCCNc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHB3 P54753 1/20 0.37
TSHR P16473 2/20 0.37
CHRM2 P08172 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11505439 0.87 MAPT (0.47) MAPTIDO1MEN1KMT2AEBP
SCHEMBL9421891 0.84 MAPT (0.52) MAPTIDO1MEN1KMT2AEBP
SCHEMBL11114472 0.82 MAPT (0.51) MAPTIDO1MEN1KMT2AEBP
SCHEMBL9069882 0.82 NR4A2 (0.53) MAPTIDO1MEN1KMT2AHTT
SCHEMBL9615522 0.82 KAT2B (0.53) MAPTIDO1MEN1KMT2AEBP
SCHEMBL4165647 0.82 MEN1 (0.46) MAPTIDO1MEN1KMT2AEBP
Hydrochloric Acid SCHEMBL28958615 0.80 NR4A2 (0.51) MAPTIDO1MEN1KMT2AEBP
SCHEMBL10734735 0.80 TAAR1 (0.48) MAPTIDO1MEN1KMT2AEBP
SCHEMBL28732815 0.79 ABL1 (0.49) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL11117714 0.78 MAPT (0.69) MAPTMEN1KMT2AADRA2BADRA2C

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