SCHEMBL11218668

SCHEMBL11218668

CN(C)c1nc(=O)c(-c2ccccc2)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ CSF1R P07333 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ KDR P35968 1/20 0.41

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
SCHEMBL11065244 0.77 BRD4 (0.47) BRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9843278 0.69 ADORA1 (0.51) BRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10810899 0.68 KDM4C (0.48) BRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11062596 0.68 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL11062613 0.68 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4ERXFP1
SCHEMBL8224982 0.66 HPGD (0.74) ALDH1A1HPGDKDM4EMAPK1MEN1
SCHEMBL11220801 0.66 ALDH1A1 (0.42) BRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL25970052 0.65 MAT2A (0.41) ALDH1A1HPGDHSD17B10KDM4EMAPK1
SCHEMBL822675 0.65 L3MBTL1 (0.56) BRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11715949 0.65 ADORA1 (0.43) ALDH1A1HPGDHSD17B10KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57024372-A — — None — — JP disclosed
JP-S5724372-A 5-OXO-2,5-DIHYDRO-1,2,4-TRIAZINE DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING SAID COMPOUND AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1982-02-08 — — JP disclosed
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