SCHEMBL30468763

SCHEMBL30468763

Nc1nc(N)c2ccccc2n1.[Pt]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.95
DHFR P00374 2/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
HSD17B10 Q99714 3/20 0.61
NUDT1 P36639 2/20 0.61
CYP1A2 P05177 1/20 0.61
ADORA2A P29274 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GLA P06280 2/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
NQO2 P16083 1/20 0.54
MAOA P21397 1/20 0.54
DRD1 P21728 1/20 0.54

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
Hydrazine SCHEMBL29011033 0.98 DCPS (0.91) DCPSDHFRALDH1A1HPGDHSD17B10
SCHEMBL269636 0.98 DCPS (1.00) DCPSDHFRALDH1A1HPGDHSD17B10
SCHEMBL29375878 0.98 DCPS (1.00) DCPSDHFRALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6601650 0.95 DCPS (0.95) DCPSDHFRALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL27786605 0.95 DCPS (0.95) DCPSDHFRALDH1A1HPGDHSD17B10
Hydrazine SCHEMBL29011024 0.83 DCPS (0.72) DCPSDHFRALDH1A1HPGDHSD17B10
SCHEMBL29011023 0.80 DCPS (0.62) DCPSDHFRALDH1A1HPGDHSD17B10
Pyrrole SCHEMBL5652472 0.79 DCPS (0.66) DCPSDHFRALDH1A1HPGDHSD17B10
SCHEMBL9605513 0.77 DHFR (1.00) DCPSDHFRNUDT1ADORA2AHRH4
SCHEMBL29583288 0.76 DCPS (0.64) DCPSALDH1A1HPGDHSD17B10NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845548-B Platinum complex of quinazoline hydrazine dithioformate and preparation method and application thereof 深圳大学 2023-06-06 CN disclosed