SCHEMBL9502409

SCHEMBL9502409

CSc1ccc(Oc2c(Cl)cc(N3NCC(=O)NC3=O)cc2Cl)cc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.44
SLC6A4 P31645 6/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
HPGD P15428 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL10501484 0.85 THRB (0.43) THRBSLC6A4ALDH1A1CYP3A4TSHR
SCHEMBL9504425 0.84 NPBWR1 (0.35) SLC6A4ALDH1A1SLC6A2SLC6A3
SCHEMBL9501110 0.77 PTGS2 (0.39)
SCHEMBL9501834 0.77 LMNA (0.32) THRB
SCHEMBL9500876 0.77 THRB (0.38) THRBSLC6A4SLC6A2SLC6A3
SCHEMBL11713543 0.75 THRB (0.44) THRBSLC6A4ALDH1A1CYP3A4TSHR
SCHEMBL10501699 0.72 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL9502425 0.72 THRB (0.82) THRB
SCHEMBL11453921 0.71 ALDH1A1 (0.43) THRBSLC6A4ALDH1A1CYP3A4TSHR
SCHEMBL9501160 0.69 LMNA (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154885-B1 SUBSTITUTED 2-PHENYL-HEXAHYDRO-1,2,4-TRIAZINE-2,5-DIONES, METHOD FOR THEIR PREPARATION, THEIR USE AS VETERINARY MEDICINES AND FOR COMBATING PROTOZOES HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-18 EP claimed
US-5188832-A Triazine-dione compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
EP-0383285-A2 Agent against fish and insect parasites HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-22 EP disclosed
EP-0154885-B1 SUBSTITUTED 2-PHENYL-HEXAHYDRO-1,2,4-TRIAZINE-2,5-DIONES, METHOD FOR THEIR PREPARATION, THEIR USE AS VETERINARY MEDICINES AND FOR COMBATING PROTOZOES HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-18 EP disclosed
US-4640917-A 2-phenyl-hexahydro-1,2,4-triazine-3,5-diones HOECHST AKTIENGESELLSCHAFT (DE) 1987-02-03 US disclosed
EP-0154885-A1 Substituted 2-phenyl-hexahydro-1,2,4-triazine-2,5-diones, method for their preparation, their use as veterinary medicines and for combating protozoes HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-18 EP disclosed