SCHEMBL29856296

SCHEMBL29856296

CCc1c(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccncc2n1CCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
SRD5A2 P31213 1/20 0.42
RAB9A P51151 3/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAOB P27338 1/20 0.41
ROCK2 O75116 3/20 0.41
HDAC2 Q92769 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL29856242 0.90 SRD5A2 (0.46) PPARGPPARASRD5A2RAB9ACYP19A1
SCHEMBL29856194 0.87 SRD5A2 (0.47) PPARGPPARASRD5A2RAB9ACYP19A1
SCHEMBL29856443 0.85 CNR2 (0.41) PPARGPPARAALDH1A1GAAROCK2
SCHEMBL29856187 0.81 SRD5A2 (0.47) PPARGSRD5A2RAB9ACYP19A1CYP11B1
SCHEMBL29856398 0.76 SRD5A2 (0.46) PPARGPPARASRD5A2RAB9ACYP19A1
SCHEMBL29856267 0.76 SRD5A2 (0.46) PPARGSRD5A2RAB9ACYP19A1CYP11B1
SCHEMBL29856197 0.76 KDM5A (0.39) PPARGRAB9AALDH1A1MAPTGAA
SCHEMBL29856292 0.76 SRD5A2 (0.46) PPARGSRD5A2RAB9ACYP19A1CYP11B1
SCHEMBL29856222 0.73 SRD5A2 (0.47) PPARGSRD5A2RAB9ACYP19A1CYP11B1
SCHEMBL29856192 0.72 KDM5A (0.50) CYP19A1HTTMAPTROCK2HDAC2

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