SCHEMBL27797787

SCHEMBL27797787

CC(C(=O)C(C)N1c2ccc([N+](=O)[O-])cc2Sc2cc([N+](=O)[O-])ccc21)N1c2ccc([N+](=O)[O-])cc2Sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 8/20 0.56
▸ LMNA P02545 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ POLB P06746 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
▸ MEN1 O00255 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
SCHEMBL30867067 0.80 SNCA (0.53) SNCALMNAALDH1A1SMN1; SMN2GAA
SCHEMBL29214102 0.80 SNCA (0.53) SNCALMNAALDH1A1SMN1; SMN2GAA
SCHEMBL27797789 0.80 SNCA (0.51) SNCALMNAALDH1A1SMN1; SMN2GAA
SCHEMBL1208152 0.78 SNCA (0.86) SNCALMNASMN1; SMN2GAAMAPT
SCHEMBL29850622 0.78 SNCA (0.86) SNCALMNASMN1; SMN2GAAMAPT
SCHEMBL8226386 0.77 SNCA (0.78) SNCAALDH1A1GAAMAPTSIRT2
SCHEMBL27750061 0.76 NOX1 (0.48) SNCALMNAALDH1A1GAAMAPT
SCHEMBL27750062 0.74 KMT2A (0.55) SNCALMNAALDH1A1MAPTMAPK1
SCHEMBL17356869 0.73 SNCA (0.56) SNCALMNAALDH1A1GAAMAPT
SCHEMBL21752000 0.72 SNCA (1.00) SNCALMNAALDH1A1SMN1; SMN2GAA

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-101883567-B Therapeutic use of diaminophenothiazines WISTA LAB LTD 2012-12-26 — — CN disclosed
CN-101883567-A Therapeutic use of diaminophenothiazines WISTA LAB LTD 2010-11-10 — — CN disclosed
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