SCHEMBL9305945

SCHEMBL9305945

CCCOc1cc2[nH]c(S)nc2cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.36
TLR8 Q9NR97 1/20 0.35
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
PDE5A O76074 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
AMY1A P0DUB6 2/20 0.32
MCHR1 Q99705 1/20 0.32
HPGD P15428 1/20 0.31
AXL P30530 1/20 0.31
EGFR P00533 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL9305949 0.94 HPSE (0.36) HPSETLR8LMNAMAPK1HIF1A
SCHEMBL9304057 0.83 HPSE (0.36) HPSETLR8LMNAMAPK1HIF1A
SCHEMBL9304064 0.77 HPSE (0.36) HPSETLR8LMNAMAPK1HIF1A
SCHEMBL10333342 0.75 LMNA (0.39) TLR8LMNAPDE5AHPGDKDM4E
SCHEMBL15702514 0.72 HPGD (0.44) TLR8LMNAHPGDKDM4EALDH1A1
SCHEMBL9306389 0.71 STING1 (0.37) HPSETLR8LMNAMAPK1MCHR1
SCHEMBL9304660 0.71 CA9 (0.36) HPSETLR8MCHR1HPGDEGFR
SCHEMBL211457 0.70 AMY1A (0.45) AMY1AMEN1KMT2AGRIN2DGRIN3B
SCHEMBL11397912 0.69 HPGD (0.42) TLR8LMNAMAPK1HPGDKDM4E
SCHEMBL10834057 0.68 CSNK2A1 (0.42) LMNAAMY1ARAB9AMEN1GAA

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed