SCHEMBL29856150

SCHEMBL29856150

Cn1c(C2CCC2)c(C(=O)c2cc(Cl)c(O)c(Cl)c2)c2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.42
ROCK2 O75116 7/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
SPR P35270 2/20 0.32
KCNH2 Q12809 1/20 0.32
ELANE P08246 1/20 0.31
TLR2 O60603 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
SCHEMBL29856218 0.96 SLC22A12 (0.44) SLC22A12ROCK2ADORA3ADORA2ASPR
SCHEMBL29856491 0.89 SLC22A12 (0.38) SLC22A12ROCK2ADORA3ADORA2A
SCHEMBL29856251 0.86 ELANE (0.41) SLC22A12ROCK2ADORA3ADORA2AELANE
SCHEMBL29856309 0.83 SLC22A12 (0.39) SLC22A12ROCK2ADORA3ADORA2AELANE
SCHEMBL29856274 0.80 ROCK2 (0.36) ROCK2ADORA3ADORA2AELANE
SCHEMBL29856387 0.78 SLC22A12 (0.46) SLC22A12ROCK2ADORA3ADORA2A
SCHEMBL29856198 0.76 ELANE (0.41) SLC22A12ROCK2ADORA3ADORA2AELANE
SCHEMBL29856329 0.76 ELANE (0.41) SLC22A12ROCK2ADORA3ADORA2AELANE
SCHEMBL29856402 0.75 SLC22A12 (0.31) SLC22A12
SCHEMBL29856265 0.74 SLC22A12 (0.47) SLC22A12ELANE

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
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed