SCHEMBL9503269

SCHEMBL9503269

CSc1ccc(Oc2c(Cl)cc(N3C(=O)NC(=O)CN3C)cc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
SLC6A4 P31645 2/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 1/20 0.31
MCHR1 Q99705 1/20 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
SCHEMBL9806729 0.86 NPBWR1 (0.33) NPBWR1NPC1RAB9ASMN1; SMN2SLC6A4
SCHEMBL9501824 0.83 LMNA (0.31) NPBWR1SMN1; SMN2LMNANPSR1MCHR1
Sulazuril SCHEMBL8602617 0.83 PTGS2 (0.38)
SCHEMBL9806750 0.83 NPBWR1 (0.35) NPBWR1NPC1RAB9ASMN1; SMN2SLC6A4
SCHEMBL9504425 0.78 NPBWR1 (0.35) NPBWR1NPC1RAB9ASMN1; SMN2SLC6A4
SCHEMBL9502417 0.75 MEN1 (0.41) LMNANPSR1ALDH1A1
SCHEMBL9503274 0.74
SCHEMBL9806715 0.70 PTGS2 (0.36)
SCHEMBL9806752 0.69 PTGS2 (0.36) NPC1
SCHEMBL9503278 0.68 THRB (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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