SCHEMBL9823375

SCHEMBL9823375

CN1C(=O)CNN(c2cc(Cl)c(C(C#N)c3ccc(Cl)cc3)c(Cl)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NR1I2 O75469 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
SLC22A1 O15245 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
HSPD1 P10809 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL7922508 0.81 MEN1 (0.52) MEN1KMT2ANR1I2L3MBTL1ALDH1A1
SCHEMBL7922620 0.77 MEN1 (0.53) MEN1KMT2ANR1I2L3MBTL1ALDH1A1
SCHEMBL10395369 0.77 MEN1 (0.44) MEN1KMT2ANR1I2L3MBTL1CTSG
SCHEMBL7910256 0.75 MEN1 (0.44) MEN1KMT2ANR1I2L3MBTL1ALDH1A1
SCHEMBL7922538 0.75 TSHR (0.35) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL10394524 0.73 MEN1 (0.41) MEN1KMT2ANR1I2L3MBTL1CMA1
SCHEMBL7919364 0.72 MEN1 (0.46) MEN1KMT2ANR1I2L3MBTL1ALDH1A1
SCHEMBL9823525 0.71 MEN1 (0.42) MEN1KMT2ANR1I2L3MBTL1ALDH1A1
SCHEMBL7919178 0.71 KMT2A (0.52) MEN1KMT2ANR1I2L3MBTL1ALDH1A1
SCHEMBL14395446 0.68 MEN1 (0.66) MEN1KMT2ANR1I2L3MBTL1ALDH1A1

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
EP-0232932-B1 5,6-DIHYDRO-2-(SUBSTITUTED PHENYL)-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-02 EP disclosed
US-4952570-A ANTIPROTOZOA AGENTS; COCCIDIOSIS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-28 US disclosed
US-4912106-A 5,6-Dihydro-2-(substituted phenyl)-1,2,4-triazine-3,5,(2H,4H)-diones and their use as protozoa combating agents JANSSEN PHARMACEUTICA N. V. FRAME-319 (BE) 1990-03-27 US disclosed
US-4767760-A Anti-protozoal 5,6-dihydro-2-(substituted phenyl)-1,2,4-triazine-3,5(2H,4H)-dione derivatives, compositions, and method of use therefor JANSSEN PHARMACUETICA N.V. (BE) 1988-08-30 US disclosed
EP-0232932-A1 5,6-Dihydro-2-(substituted phenyl)-1,2,4-triazine-3,5(2H,4H)-diones JANSSEN PHARMACEUTICA N.V. (BE) 1987-08-19 EP disclosed