SCHEMBL18408642

SCHEMBL18408642

C=C(/C=C\C1=C(C)Sc2cc([N+](=O)[O-])ccc2N1C(C)=O)[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.57
▸ MAPT P10636 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ BCHE P06276 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ MYLK Q15746 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL29850622 0.77 SNCA (0.86) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL1208152 0.77 SNCA (0.86) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL21752000 0.74 SNCA (1.00) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL19398391 0.74 SNCA (0.76) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL21751995 0.69 SNCA (1.00) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL17591100 0.69 SNCA (0.71) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL18408660 0.65 SNCA (0.58) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL21096869 0.64 SNCA (0.48) SNCAMAPTMAPK1SMN1; SMN2LMNA
SCHEMBL21771119 0.63 SNCA (0.71) SNCAMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL8226390 0.63 SNCA (0.56) SNCAMAPTKDM4EMAPK1SMN1; SMN2

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
EP-3121169-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WisTa Laboratories Ltd. (SG) 2017-01-25 — — EP disclosed
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