SCHEMBL29856136

SCHEMBL29856136

CCc1c(C(=O)c2cc(Br)c(O)c(Br)c2)c2cccnc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.47
EYA3 Q99504 4/20 0.47
TTR P02766 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.47
KMT2A Q03164 2/20 0.47
EYA2 O00167 1/20 0.47
ABCC4 O15439 1/20 0.47
PLIN1 O60240 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL29856282 0.86 SLC22A12 (0.48) SLC22A12CYP2C9MEN1KMT2ANR1I2
SCHEMBL29856238 0.83 SLC22A12 (0.43) SLC22A12EYA3CYP2C9CYP2C19MEN1
SCHEMBL29856141 0.82 SLC22A12 (0.39) SLC22A12EYA3TTRCYP2C9CYP2C19
SCHEMBL29856245 0.81 SLC22A12 (0.42) SLC22A12EYA3TTRCYP2C9CYP2C19
SCHEMBL29856226 0.81 SLC22A12 (0.40) SLC22A12EYA3TTRCYP2C9CYP2C19
SCHEMBL29856189 0.77 SLC22A12 (0.42) SLC22A12EYA3TTRCYP2C9CYP2C19
SCHEMBL29856281 0.77 SLC22A12 (0.42) SLC22A12EYA3TTRCYP2C9CYP2C19
SCHEMBL29857005 0.76 SLC22A12 (0.43) SLC22A12EYA3TTRCYP2C9CYP2C19
SCHEMBL29856299 0.73 SMN1; SMN2 (0.49) ALDH1A1MAPTPPARGNR1H4NCOR2
SCHEMBL28560524 0.73 FEN1 (0.46) MEN1KMT2APOLBMAPTPDE4D

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