SCHEMBL14454740

SCHEMBL14454740

C[n+]1c(/C=C/c2cc3c4c(c2)CCCN4CCC3)sc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.64
▸ INSR P06213 10/20 0.49
▸ ADRB2 P07550 3/20 0.45
▸ ADRB1 P08588 2/20 0.45
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ACHE P22303 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL13194374 1.00 SNCA (0.64) SNCAINSRADRB2ADRB1POLB
SCHEMBL13171852 0.86 INSR (0.53) SNCAINSRPOLBMAPTNPSR1
SCHEMBL13294127 0.82 SNCA (0.43) SNCAINSRPOLBHTTL3MBTL1
SCHEMBL14706832 0.81 SNCA (0.48) SNCAINSRPOLBMAPTNPSR1
SCHEMBL1105806 0.81 SNCA (0.48) SNCAINSRPOLBMAPTNPSR1
Iodide SCHEMBL31063609 0.79 SNCA (0.97) SNCAINSRADRB2ADRB1POLB
SCHEMBL13428302 0.78 SNCA (0.41) SNCAINSRADRB2ADRB1POLB
Iodide SCHEMBL31063717 0.78 SNCA (1.00) SNCAINSRADRB2ADRB1POLB
Iodide SCHEMBL31063626 0.75 SNCA (0.80) SNCAINSRADRB2ADRB1POLB
SCHEMBL13989159 0.74 KMT2A (0.53) POLBMAPTHTTMAPK1L3MBTL1

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-20070154899-A1 Biodetection by nucleic acid-templated chemistry ENSEMBLE THERAPEUTICS CORPORATION 2007-07-05 — — US disclosed
US-20070154899-A1 Biodetection by nucleic acid-templated chemistry ENSEMBLE THERAPEUTICS CORPORATION 2007-07-05 — — US disclosed
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