SCHEMBL29214101

SCHEMBL29214101

CCN1c2ccc([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
▸ CYP1A2 P05177 1/20 0.41
▸ ESPL1 Q14674 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 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
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL30867068 1.00 SNCA (0.53) SNCACYP1A2ESPL1L3MBTL1POLB
SCHEMBL17356869 0.94 SNCA (0.56) SNCACYP1A2ESPL1L3MBTL1MAPT
SCHEMBL29214118 0.81 SNCA (0.70) SNCAL3MBTL1MAPTLMNAGAA
SCHEMBL30867072 0.81 SNCA (0.70) SNCAL3MBTL1MAPTLMNAGAA
SCHEMBL11590888 0.79 SNCA (0.44) SNCACYP1A2MAPTLMNAMAPK1
SCHEMBL11590885 0.79 SNCA (0.44) SNCACYP1A2MAPTLMNAMAPK1
SCHEMBL31302973 0.78 SNCA (0.60) SNCACYP1A2MAPTLMNAGAA
SCHEMBL30867067 0.77 SNCA (0.53) SNCAESPL1L3MBTL1MAPTLMNA
SCHEMBL29214102 0.77 SNCA (0.53) SNCAESPL1L3MBTL1MAPTLMNA
SCHEMBL8226386 0.77 SNCA (0.78) SNCAL3MBTL1MAPTGAAMEN1

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
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
CN-113754606-A Phenoxazinediamine derivatives and/or phenothiazine diamine derivatives and preparation method thereof 南京工业大学 2021-12-07 — — CN disclosed
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