SCHEMBL9305949

SCHEMBL9305949

CCCOc1cc2nc(S)[nH]c2cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.36
PDE5A O76074 10/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TLR8 Q9NR97 1/20 0.35
AMY1A P0DUB6 1/20 0.35
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
EGFR P00533 1/20 0.33
ENPP1 P22413 1/20 0.33
MCHR1 Q99705 1/20 0.32
HPGD P15428 1/20 0.31
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31

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
SCHEMBL9305945 0.94 HPSE (0.36) HPSEPDE5APDE4APDE4BPDE4C
SCHEMBL9304064 0.83 HPSE (0.36) HPSEPDE5APDE4APDE4BPDE4C
SCHEMBL9304057 0.77 HPSE (0.36) HPSEPDE5APDE4APDE4BPDE4C
SCHEMBL10333342 0.75 LMNA (0.39) PDE5ATLR8LMNAENPP1HPGD
SCHEMBL15702514 0.72 HPGD (0.44) TLR8LMNAHPGD
SCHEMBL211457 0.70 AMY1A (0.45) AMY1A
SCHEMBL9304660 0.69 CA9 (0.36) HPSETLR8EGFRENPP1MCHR1
SCHEMBL9306389 0.69 STING1 (0.37) HPSETLR8LMNAMAPK1EGFR
SCHEMBL11397912 0.69 HPGD (0.42) TLR8LMNAMAPK1HPGD
SCHEMBL10834059 0.68 GAA (0.40) AMY1ALMNA

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed