SCHEMBL7044213

SCHEMBL7044213

CCN(CC)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.41
MAPT P10636 8/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 6/20 0.40
GAA P10253 5/20 0.40
HTT P42858 3/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NOX1 Q9Y5S8 4/20 0.39
TERT O14746 1/20 0.39
S100B P04271 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPK1 P28482 5/20 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
SCHEMBL972682 0.93 SNCA (0.46) SNCAMAPTALDH1A1TDP1GAA
Hydromethylthionine SCHEMBL109756 0.88 SNCA (0.50) SNCAMAPTALDH1A1TDP1GAA
Hydromethylthionine SCHEMBL29356148 0.88 SNCA (0.50) SNCAMAPTALDH1A1TDP1GAA
Hydromethylthionine SCHEMBL12592446 0.88 SNCA (0.50) SNCAMAPTALDH1A1TDP1GAA
SCHEMBL5724694 0.88 MAPT (0.39) SNCAMAPTTDP1GAAHTT
SCHEMBL9290137 0.87 SNCA (0.41) SNCAMAPTTDP1GAAHTT
SCHEMBL10476547 0.87 TERT (0.39) SNCAMAPTALDH1A1TDP1GAA
Hydromethylthionine SCHEMBL25199191 0.86 SNCA (0.48) SNCAMAPTALDH1A1TDP1GAA
Hydromethylthionine SCHEMBL1577040 0.86 SNCA (0.48) SNCAMAPTALDH1A1TDP1GAA
Hydromethylthionine SCHEMBL23683393 0.86 SNCA (0.48) SNCAMAPTALDH1A1TDP1GAA

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
WO-2003007944-A1 TREATMENT OF MACULAR EDEMA WITH PHOTODYNAMIC THERAPY QLT, INC. (CA) 2003-01-30 WO disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US disclosed