SCHEMBL9501084

SCHEMBL9501084

O=C1CNN(c2cc(Cl)c(Sc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RECQL P46063 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 3/20 0.33
CRBN Q96SW2 2/20 0.33
DDB1 Q16531 1/20 0.33
ALOX12 P18054 1/20 0.33
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
LIPE Q05469 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
SCHEMBL9504429 0.90 MEN1 (0.38) MEN1KMT2AGAALMNARECQL
SCHEMBL9502415 0.85 KMT2A (0.34) MEN1KMT2AGAALMNARECQL
SCHEMBL7922604 0.80 GAA (0.40) MEN1KMT2AGAALMNAMAOA
SCHEMBL7919150 0.76 TSHR (0.38) MEN1KMT2AMAPTALOX12
SCHEMBL7844056 0.76 MEN1 (0.35) MEN1KMT2ALMNAMAPTALOX12
SCHEMBL9500884 0.76 MEN1 (0.37) MEN1KMT2AGAALMNAMAPT
SCHEMBL9502417 0.75 MEN1 (0.41) MEN1KMT2AGAALMNAMAOA
SCHEMBL10733171 0.75 HTR1A (0.36) MEN1KMT2ACYP3A4CYP2C9MAPT
SCHEMBL9823338 0.73 MDM2 (0.33) MEN1KMT2AMAPTALOX12

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 6 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-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