SCHEMBL9501160

SCHEMBL9501160

CSc1ccc(Sc2c(Cl)cc(N3NCC(=O)NC3=O)cc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPK1 P28482 1/20 0.31
STK10 O94804 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
SLK Q9H2G2 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
SCHEMBL9504429 0.90 MEN1 (0.38) LMNAMEN1GAAKMT2AMAPK1
SCHEMBL9501084 0.90 MEN1 (0.42) LMNAMEN1GAAKMT2AMAPK1
SCHEMBL9502415 0.85 KMT2A (0.34) LMNAMEN1GAAKMT2AALDH1A1
SCHEMBL10502467 0.83 NPC1 (0.40) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9504425 0.82 NPBWR1 (0.35) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9500884 0.77 MEN1 (0.37) LMNAMEN1GAAKMT2AALDH1A1
SCHEMBL10733171 0.76 HTR1A (0.36) MEN1KMT2AALDH1A1
SCHEMBL9500876 0.73 THRB (0.38) NPC1RAB9A
SCHEMBL7919150 0.71 TSHR (0.38) MEN1KMT2AALDH1A1
SCHEMBL7922604 0.70 GAA (0.40) LMNAMEN1GAAKMT2AMAPK1

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-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