SCHEMBL9504425

SCHEMBL9504425

CSc1ccc(Oc2c(Cl)cc(N3NCC(=O)NC3=O)cc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.35
SLC6A4 P31645 5/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
MCHR1 Q99705 3/20 0.31

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
SCHEMBL9500876 0.87 THRB (0.38) NPBWR1SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL10501699 0.86 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3NPC1RAB9A
SCHEMBL9502409 0.84 THRB (0.44) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL9501834 0.83 LMNA (0.32) NPBWR1SMN1; SMN2LMNANPSR1MCHR1
SCHEMBL9501110 0.83 PTGS2 (0.39) PTGS2
SCHEMBL9501160 0.82 LMNA (0.36) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL9503269 0.78 NPBWR1 (0.35) NPBWR1SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL9806729 0.76 NPBWR1 (0.33) NPBWR1SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL10502467 0.74 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAPTGS2
SCHEMBL9504429 0.72 MEN1 (0.38) LMNAMAPK1

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 9 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-0215354-B1 SUBSTITUTED 2-PHENYL-HEXAHYDRO-1,2,4-TRIAZINE-3,5-DIONES, PROCESS FOR THEIR PREPARATION, PRODUCTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-24 EP 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-4782056-A COCCIDIOSTATICS HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-01 US disclosed
EP-0215354-A2 Substituted 2-phenyl-hexahydro-1,2,4-triazine-3,5-diones, process for their preparation, products containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-25 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