SCHEMBL8700636

SCHEMBL8700636

CCOC(=O)C1(c2cccs2)Cc2ccccc2C1c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
ADORA2B P29275 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
BRD4 O60885 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CACNA1D Q01668 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL7421543 0.76 OPRM1 (0.47) BRD4SLC6A4HSD17B10
SCHEMBL4021580 0.72 SLC6A2 (0.43) PKMADORA2BALDH1A1KMT2ABRD4
SCHEMBL8700638 0.71 HTT (0.52) PKMADORA2BALDH1A1KMT2ABRD4
SCHEMBL8189527 0.70 LMNA (0.41) PKMALDH1A1BRD4SLC6A2SLC6A4
SCHEMBL11264454 0.69 SLC6A2 (0.38) PKMADORA2BALDH1A1KMT2ASLC6A2
SCHEMBL1428238 0.67 OPRM1 (0.44) ALDH1A1MAPTSLC6A4KDM4E
SCHEMBL19419804 0.67 BRD4 (0.46) KMT2ABRD4SLC6A2SLC6A4SLC6A3
SCHEMBL7415776 0.67 CHRM3 (0.51) SLC6A2SLC6A4TSHR
SCHEMBL22640245 0.67 HSD17B10 (0.44) PKMADORA2BALDH1A1KMT2ABRD4
SCHEMBL244317 0.67 OPRM1 (0.43) PKMADORA2BALDH1A1KMT2AMAPT

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-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 US disclosed