SCHEMBL9843335

SCHEMBL9843335

CN(C)c1nncc(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2D6 P10635 1/20 0.39
TOP2A P11388 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL12809903 0.70
SCHEMBL31310506 0.70
SCHEMBL31619938 0.67 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TOP2AMEN1
SCHEMBL11479664 0.60 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDCASP1CASP7
SCHEMBL10717482 0.60 CA12 (0.33) ALDH1A1CYP1A2HPGDHSD17B10CYP2D6
SCHEMBL3524163 0.57 POLB (0.33) ALDH1A1CYP1A2HPGDCYP2D6MEN1
SCHEMBL10040901 0.56
SCHEMBL18961662 0.54 BRD9 (0.40) ALDH1A1
SCHEMBL22415810 0.54 CNR2 (0.47) ALDH1A1CYP1A2HPGDCASP1CASP7
SCHEMBL23164949 0.54

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458111-A1 1,6-dihydro-3-dimethylamino-4-methyl-1,2,4-triazine derivatives BAYER AG (DE) 1991-11-27 EP claimed
US-4447258-A 3-Dimethylamino-4-methyl-1,2,4-triazin-5(4H)-ones and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1984-05-08 US claimed
EP-0015452-B1 6-SUBSTITUTED-3-DIMETHYLAMINO-4-METHYL-1,2,4-TRIAZIN-5-(4H)-ONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1982-01-20 EP claimed
EP-0015452-A1 6-Substituted-3-dimethylamino-4-methyl-1,2,4-triazin-5-(4H)-ones, processes for their preparation and their use as herbicides BAYER AG (DE) 1980-09-17 EP claimed
EP-0458111-A1 1,6-dihydro-3-dimethylamino-4-methyl-1,2,4-triazine derivatives BAYER AG (DE) 1991-11-27 EP disclosed
US-4447258-A 3-Dimethylamino-4-methyl-1,2,4-triazin-5(4H)-ones and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1984-05-08 US disclosed
US-4447258-A 3-Dimethylamino-4-methyl-1,2,4-triazin-5(4H)-ones and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1984-05-08 US disclosed
EP-0015452-B1 6-SUBSTITUTED-3-DIMETHYLAMINO-4-METHYL-1,2,4-TRIAZIN-5-(4H)-ONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1982-01-20 EP disclosed
EP-0015452-B1 6-SUBSTITUTED-3-DIMETHYLAMINO-4-METHYL-1,2,4-TRIAZIN-5-(4H)-ONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1982-01-20 EP disclosed
EP-0015452-A1 6-Substituted-3-dimethylamino-4-methyl-1,2,4-triazin-5-(4H)-ones, processes for their preparation and their use as herbicides BAYER AG (DE) 1980-09-17 EP disclosed
EP-0015452-A1 6-Substituted-3-dimethylamino-4-methyl-1,2,4-triazin-5-(4H)-ones, processes for their preparation and their use as herbicides BAYER AG (DE) 1980-09-17 EP disclosed