SCHEMBL29856398

SCHEMBL29856398

CC(C)c1c(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccncc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.46
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
PARP10 Q53GL7 1/20 0.42
ROCK2 O75116 1/20 0.42
GPR132 Q9UNW8 1/20 0.42

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
SCHEMBL29856194 0.85 SRD5A2 (0.47) SRD5A2CYP19A1CYP11B1CYP11B2MAOB
SCHEMBL29856267 0.84 SRD5A2 (0.46) SRD5A2CYP19A1CYP11B1CYP11B2MAOB
SCHEMBL29856230 0.81 ROCK2 (0.42) CYP19A1HTTMEN1KMT2AMAPT
SCHEMBL29856297 0.80 MAPT (0.51) HTTMEN1KMT2AMAPTGAA
SCHEMBL29856242 0.78 SRD5A2 (0.46) SRD5A2CYP19A1CYP11B1CYP11B2MAOB
SCHEMBL29856187 0.77 SRD5A2 (0.47) SRD5A2CYP19A1CYP11B1CYP11B2MAOB
SCHEMBL29856296 0.76 PPARG (0.45) SRD5A2CYP19A1CYP11B1CYP11B2MAOB
SCHEMBL29856278 0.71 SRD5A2 (0.48) SRD5A2CYP19A1CYP11B1CYP11B2MAOB
SCHEMBL29856212 0.71 ADORA3 (0.40) ALDH1A1MEN1KMT2AMAPTROCK2
SCHEMBL29856249 0.71 SRD5A2 (0.47) SRD5A2CYP19A1CYP11B1CYP11B2MAOB

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