SCHEMBL9806750

SCHEMBL9806750

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.35
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 1/20 0.32
MCHR1 Q99705 5/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL9503269 0.83 NPBWR1 (0.35) NPBWR1NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL9806729 0.73 NPBWR1 (0.33) NPBWR1NPSR1LMNASMN1; SMN2SLC6A2
SCHEMBL9504425 0.70 NPBWR1 (0.35) NPBWR1NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL11464658 0.68 SLC6A4 (0.42) NPBWR1SMN1; SMN2ALDH1A1SLC6A2SLC6A4
SCHEMBL9503278 0.67 THRB (0.59)
SCHEMBL9501824 0.66 LMNA (0.31) NPBWR1NPSR1LMNASMN1; SMN2MCHR1
Sulazuril SCHEMBL8602617 0.66 PTGS2 (0.38)
SCHEMBL11460774 0.65 PDE7A (0.46) NPSR1LMNASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL11647493 0.65 GABRP (0.43) NPBWR1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL11471382 0.65 SLC6A4 (0.40) NPBWR1SLC6A2SLC6A4SLC6A3

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-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
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