SCHEMBL8613951

SCHEMBL8613951

CCOC(c1cccs1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ALOX5 P09917 1/20 0.36
ADAM17 P78536 1/20 0.34
CACNA2D1 P54289 6/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
EGFR P00533 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 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
SCHEMBL7567730 0.73 ALDH1A1 (0.37) CTSASLC6A2SLC6A4ALOX5ALDH1A1
SCHEMBL8409514 0.71 ALOX5 (0.36) SLC6A2SLC6A4ALOX5MAPTHPGD
SCHEMBL13711978 0.70 PKM (0.38) CTSASLC6A2SLC6A4ALOX5ADAM17
SCHEMBL5910731 0.70 ALOX5 (0.39) SLC6A2SLC6A4ALOX5ALDH1A1MAPT
SCHEMBL5911184 0.68 SLC6A2 (0.38) SLC6A2SLC6A4ALOX5CACNA2D1HTT
SCHEMBL10796130 0.68 ALOX5 (0.34) SLC6A2SLC6A4ALOX5MAPTHPGD
SCHEMBL27510209 0.68 CYP2C19 (0.43) ALOX5ALDH1A1MAPTHPGDHTT
SCHEMBL10689462 0.67 ALOX5 (0.33) SLC6A2SLC6A4ALOX5MAPTHPGD
SCHEMBL30636600 0.66 ALOX5 (0.36) SLC6A2SLC6A4ALOX5ALDH1A1MAPT
SCHEMBL2778732 0.65 DPP4 (0.36) SLC6A2SLC6A4ALOX5CACNA2D1HTT

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
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed