SCHEMBL29856141

SCHEMBL29856141

CCc1c(C(=O)c2cc(Br)c(O)c(Br)c2)c2nccnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 12/20 0.39
TTR P02766 4/20 0.39
EYA3 Q99504 3/20 0.39
CYP2C9 P11712 2/20 0.39
ESR1 P03372 2/20 0.39
PTPN1 P18031 2/20 0.39
CYP2C19 P33261 2/20 0.39
EYA2 O00167 1/20 0.39
MEN1 O00255 1/20 0.39
ABCC4 O15439 1/20 0.39
PLIN1 O60240 1/20 0.39
NR1I2 O75469 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL29856245 0.82 SLC22A12 (0.42) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29856136 0.82 SLC22A12 (0.47) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29856224 0.81 LMNA (0.37) SLC22A12EYA3CYP2C9ESR1ALDH1A1
SCHEMBL29856226 0.77 SLC22A12 (0.40) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29856162 0.77 SLC22A12 (0.37) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29856281 0.72 SLC22A12 (0.42) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29856189 0.72 SLC22A12 (0.42) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29857005 0.71 SLC22A12 (0.43) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29856260 0.70 SLC22A12 (0.41) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL29856151 0.70 MAOB (0.51) MEN1ALDH1A1MAPTMAPK1PPARG

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