SCHEMBL9304057

SCHEMBL9304057

CCCOc1cc2[nH]c(I)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 5/20 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 1/20 0.32
HPGD P15428 2/20 0.31
GCGR P47871 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK14 Q16539 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9304064 0.94 HPSE (0.36) HPSETLR8LMNAMAPK1HIF1A
SCHEMBL9305945 0.83 HPSE (0.36) HPSETLR8LMNAMAPK1HIF1A
SCHEMBL9305949 0.77 HPSE (0.36) HPSETLR8LMNAMAPK1HIF1A
SCHEMBL15702514 0.72 HPGD (0.44) TLR8LMNAHPGDKDM4EALDH1A1
SCHEMBL9305594 0.71 STING1 (0.37) HPSETLR8LMNAMAPK1HPGD
SCHEMBL11397912 0.69 HPGD (0.42) TLR8LMNAMAPK1HPGDKDM4E
SCHEMBL9305531 0.66 CA9 (0.36) TLR8HPGDKDM4EALDH1A1EGFR
SCHEMBL9306389 0.66 STING1 (0.37) HPSETLR8LMNAMAPK1HPGD
SCHEMBL9304660 0.66 CA9 (0.36) HPSETLR8HPGDKDM4EALDH1A1
SCHEMBL30108741 0.65 HPGD (0.41) TLR8LMNAHPGDKDM4EALDH1A1

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 3 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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed