SCHEMBL9500876

SCHEMBL9500876

CSc1ccc(Oc2c(C)cc(N3NCC(=O)NC3=O)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
SLC6A4 P31645 6/20 0.33
PTGS2 P35354 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
SLC6A2 P23975 3/20 0.30
SLC6A3 Q01959 3/20 0.30
NPBWR1 P48145 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
SCHEMBL9504425 0.87 NPBWR1 (0.35) SLC6A4PTGS2NPC1RAB9ASLC6A2
SCHEMBL10501699 0.78 SLC6A4 (0.40) SLC6A4PTGS2NPC1RAB9ASLC6A2
SCHEMBL9502409 0.77 THRB (0.44) THRBSLC6A4SLC6A2SLC6A3
SCHEMBL10501484 0.76 THRB (0.43) THRBSLC6A4RAB9ASLC6A2SLC6A3
SCHEMBL10502467 0.75 NPC1 (0.40) PTGS2NPC1RAB9A
SCHEMBL9501160 0.73 LMNA (0.36) NPC1RAB9A
SCHEMBL9501834 0.70 LMNA (0.32) THRBNPBWR1
SCHEMBL9501110 0.70 PTGS2 (0.39) PTGS2
SCHEMBL10501494 0.69 KMT2A (0.36) NPC1
SCHEMBL9502415 0.67 KMT2A (0.34)

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