SCHEMBL29856173

SCHEMBL29856173

Cn1c(C(C)(C)C)c(C(=O)c2cc(Br)c(O)c(Br)c2)c2ccncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 2/20 0.40
SLC22A12 Q96S37 7/20 0.38
SLC22A6 Q4U2R8 2/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
CYP2C19 P33261 2/20 0.37
ROCK2 O75116 5/20 0.35
EYA3 Q99504 4/20 0.35
TTR P02766 3/20 0.35
CYP2C9 P11712 2/20 0.35
EYA2 O00167 1/20 0.35
MEN1 O00255 1/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
NR1I2 O75469 1/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35

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
SCHEMBL29856228 0.85 ADORA3 (0.46) ADORA3ADORA2ASLC22A12SLC22A6SLC22A8
SCHEMBL29856340 0.83 ROCK2 (0.38) ADORA3ADORA2ASLC22A12ROCK2LMNA
SCHEMBL29856189 0.81 SLC22A12 (0.42) ADORA3ADORA2ASLC22A12SLC22A6SLC22A8
SCHEMBL29856212 0.81 ADORA3 (0.40) ADORA3ADORA2ASLC22A12SLC22A6SLC22A8
SCHEMBL29856309 0.80 SLC22A12 (0.39) ADORA3ADORA2ASLC22A12SLC22A6SLC22A8
SCHEMBL29856428 0.75 NTRK1 (0.46) ADORA3ADORA2ASLC22A12SLC22A6SLC22A8
SCHEMBL29856177 0.74 KDM5A (0.49) ADORA3SLC22A12SLC22A6SLC22A8CYP2C19
SCHEMBL29856281 0.72 SLC22A12 (0.42) ADORA3SLC22A12SLC22A6SLC22A8CYP2C19
SCHEMBL7083487 0.67 ADORA3 (0.60) ADORA3ADORA2AROCK2MAPTKDM5A
SCHEMBL29369522 0.67 ADORA3 (0.60) ADORA3ADORA2AROCK2MAPTKDM5A

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