SCHEMBL29857005

SCHEMBL29857005

CCc1c(C(=O)c2cc(Br)c(O)c(Br)c2)c2ccnc(OC)c2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 13/20 0.43
EYA3 Q99504 3/20 0.39
TTR P02766 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
PTPN1 P18031 2/20 0.39
ESR1 P03372 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
SCHEMBL29856229 0.84 ALOX15 (0.39) SLC22A12EYA3CYP2C9ALDH1A1LMNA
SCHEMBL29856136 0.76 SLC22A12 (0.47) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL29856189 0.76 SLC22A12 (0.42) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL29856292 0.76 SRD5A2 (0.46) MEN1ALDH1A1POLBMAPTPPARG
SCHEMBL29856260 0.75 SLC22A12 (0.41) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL29856272 0.75 CYP2C9 (0.42) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL29856281 0.73 SLC22A12 (0.42) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL29856141 0.71 SLC22A12 (0.39) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL29856245 0.71 SLC22A12 (0.42) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL29856226 0.71 SLC22A12 (0.40) SLC22A12EYA3TTRCYP2C19CYP2C9

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