SCHEMBL9504429

SCHEMBL9504429

Cc1ccc(Sc2c(Cl)cc(N3NCC(=O)NC3=O)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.31
NOTUM Q6P988 1/20 0.31
PIM1 P11309 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
SCHEMBL9501160 0.90 LMNA (0.36) MEN1KMT2AGAALMNAMAPK1
SCHEMBL9501084 0.90 MEN1 (0.42) MEN1KMT2AGAALMNAMAPT
SCHEMBL9502415 0.88 KMT2A (0.34) MEN1KMT2AGAALMNAMAPT
SCHEMBL9500884 0.87 MEN1 (0.37) MEN1KMT2AGAALMNAMAPT
SCHEMBL10733171 0.85 HTR1A (0.36) MEN1KMT2AMAPTL3MBTL1CYP3A4
SCHEMBL10501494 0.73 KMT2A (0.36) MEN1KMT2AGAAMAPTCYP3A4
SCHEMBL9504425 0.72 NPBWR1 (0.35) LMNAMAPK1
SCHEMBL10502467 0.72 NPC1 (0.40) LMNAMAPTMAPK1
SCHEMBL7919150 0.71 TSHR (0.38) MEN1KMT2AMAPT
SCHEMBL7922604 0.70 GAA (0.40) MEN1KMT2AGAALMNAMAPT

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-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
US-4640917-A 2-phenyl-hexahydro-1,2,4-triazine-3,5-diones HOECHST AKTIENGESELLSCHAFT (DE) 1987-02-03 US disclosed