SCHEMBL8205041

SCHEMBL8205041

C=CC=Cc1ccc2c(c1)Sc1cc(C=CC=C)ccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.41
NOX1 Q9Y5S8 7/20 0.39
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL8205039 1.00 SNCA (0.41) SNCANOX1GAAMAPTMAPK1
SCHEMBL8198004 0.81 SNCA (0.46) SNCANOX1GAAMAPTMAPK1
SCHEMBL8205103 0.75 ALOX5 (0.40) CYP1A2
SCHEMBL8205105 0.75 ALOX5 (0.40) CYP1A2
SCHEMBL8722738 0.74 NOX1 (0.59) SNCANOX1GAAMAPTMAPK1
SCHEMBL11280393 0.73 SNCA (0.46) SNCANOX1GAAMAPTMAPK1
SCHEMBL14316844 0.71
SCHEMBL22134190 0.69 ALOX5 (0.52) GAAMAPTNPC1RAB9ANPSR1
SCHEMBL30811560 0.67 NOX1 (0.59) SNCANOX1GAAMAPTMAPK1
SCHEMBL24457982 0.63 NOX1 (0.59) SNCANOX1GAAMAPTMAPK1

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
US-6083651-A SOLUBLE IN POLYMERIC BINDERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 US disclosed
US-5942615-A GOOD SOLUBILITY IN BINDER POLYMERS, SENSITIVITY, AND LOW RESIDUAL POTENTIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 US disclosed