SCHEMBL9304064

SCHEMBL9304064

CCCOc1cc2nc(I)[nH]c2cc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.36
PDE5A O76074 11/20 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
HPGD P15428 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
SCHEMBL9304057 0.94 HPSE (0.36) HPSEPDE5APDE4APDE4BPDE4C
SCHEMBL9305949 0.83 HPSE (0.36) HPSEPDE5APDE4APDE4BPDE4C
SCHEMBL9305945 0.77 HPSE (0.36) HPSEPDE5APDE4APDE4BPDE4C
SCHEMBL15702514 0.72 HPGD (0.44) TLR8LMNAHPGD
SCHEMBL9305594 0.69 STING1 (0.37) HPSETLR8LMNAMAPK1EGFR
SCHEMBL11397912 0.69 HPGD (0.42) TLR8LMNAMAPK1HPGD
SCHEMBL30108741 0.65 HPGD (0.41) TLR8LMNAHPGD
SCHEMBL1136112 0.64 HPGD (0.39) PDE4DTLR8LMNAHPGD
SCHEMBL3338651 0.64 THRA (0.44)
SCHEMBL9305531 0.63 CA9 (0.36) TLR8EGFRENPP1HPGD

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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed