SCHEMBL30867067

SCHEMBL30867067

CC(C)N1c2ccc([N+](=O)[O-])cc2Sc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 8/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ESPL1 Q14674 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL29214102 1.00 SNCA (0.53) SNCAL3MBTL1LMNAGAAMAPT
SCHEMBL29214118 0.81 SNCA (0.70) SNCAL3MBTL1LMNAGAAMAPT
SCHEMBL30867072 0.81 SNCA (0.70) SNCAL3MBTL1LMNAGAAMAPT
SCHEMBL27797787 0.80 SNCA (0.56) SNCALMNAGAAMAPTMAPK1
SCHEMBL27797789 0.80 SNCA (0.51) SNCAL3MBTL1LMNAGAAMAPT
SCHEMBL30867068 0.77 SNCA (0.53) SNCAL3MBTL1LMNAGAAMAPT
SCHEMBL29214101 0.77 SNCA (0.53) SNCAL3MBTL1LMNAGAAMAPT
SCHEMBL8226386 0.77 SNCA (0.78) SNCAL3MBTL1GAAMAPTMEN1
SCHEMBL30777324 0.74 SNCA (0.71) SNCAL3MBTL1LMNAGAAMAPT
SCHEMBL11725544 0.74 SNCA (0.71) SNCAL3MBTL1LMNAGAAMAPT

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-113754606-B Phenoxazine diamine derivative and/or phenothiazine diamine derivative and preparation method thereof 南京工业大学 2024-03-29 — — CN disclosed
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