SCHEMBL21771496

SCHEMBL21771496

Cc1ccc2c(c1)Sc1cc(OC3CCC3)ccc1N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.50
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ NOX1 Q9Y5S8 4/20 0.44
▸ GAA P10253 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ MAOB P27338 4/20 0.37
▸ ALDH1A1 P00352 2/20 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
SCHEMBL17289246 0.77 SNCA (0.83) SNCAMAPTMEN1KMT2ANOX1
SCHEMBL29640485 0.76 MAPT (0.59) SNCAMAPTMEN1KMT2ANOX1
SCHEMBL225916 0.76 MAPT (0.59) SNCAMAPTMEN1KMT2ANOX1
SCHEMBL8256707 0.71 PARP10 (0.53) MAOBALDH1A1
SCHEMBL24255127 0.71 MAPT (0.50) SNCAMAPTMEN1KMT2ANOX1
SCHEMBL20325528 0.71 MAOB (0.53) TDP1MAOBSLC6A2SLC6A4SLC6A3
SCHEMBL2756476 0.70 NOX1 (0.53) SNCAMAPTMEN1KMT2ANOX1
SCHEMBL12431902 0.69 MAOB (0.52) TDP1NPC1RAB9AMAOBSLC6A2
SCHEMBL239549 0.69 NOX1 (0.65) SNCAMAPTMEN1KMT2ANOX1
SCHEMBL8352183 0.69 SLC6A2 (0.63) LMNAL3MBTL1EPHX2ALDH1A1SLC6A2

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
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 — — WO disclosed
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