SCHEMBL30294205

SCHEMBL30294205

NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.71
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
MAPT P10636 3/20 0.70
ALDH1A1 P00352 2/20 0.70
GAA P10253 1/20 0.70
RAB9A P51151 1/20 0.70
MAOA P21397 7/20 0.67
MAOB P27338 7/20 0.67
VCP P55072 1/20 0.67
KDM4E B2RXH2 1/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.61

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
SCHEMBL17149219 0.86 CSNK2A1 (0.71) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL24340403 0.85 KMT2A (0.69) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL10808167 0.84 BAZ1A (0.79) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL10922701 0.84 KMT2A (0.72) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL3593035 0.84 CSNK2A1 (0.67) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL8684018 0.84 CSNK2A1 (0.67) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL7208018 0.83 CSNK2A1 (1.00) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL10962764 0.83 KMT2A (0.74) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL31527663 0.83 CSNK2A1 (0.67) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL30294200 0.83 MAPT (0.74) MEN1KMT2AMAPTALDH1A1GAA

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-113880786-B Synthesis method and anti-oxidation application of camphene aldehyde thiazole hydrazone derivative 江西农业大学 2023-03-03 CN disclosed