SCHEMBL29856229

SCHEMBL29856229

CCc1c(C(=O)c2ccc(O)cc2)c2ccnc(OC)c2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SLC22A12 Q96S37 8/20 0.38
EYA3 Q99504 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33

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
SCHEMBL29856292 0.85 SRD5A2 (0.46) ALDH1A1KMT2AMAPT
SCHEMBL29857005 0.84 SLC22A12 (0.43) ALDH1A1LMNASLC22A12EYA3KMT2A
SCHEMBL29856234 0.74 ALOX15 (0.40) ALOX15NPSR1ALDH1A1LMNASLC22A12
SCHEMBL29856214 0.73 KDM5A (0.40) LMNASLC22A12EYA3MAPTHPGD
SCHEMBL29856238 0.73 SLC22A12 (0.43) SLC22A12EYA3KMT2ACYP2C9
SCHEMBL29856346 0.73 DYRK1A (0.34) CYP3A4HPGD
SCHEMBL29856217 0.71 TUBB4A (0.41) LMNASLC22A12EYA3MAPTHPGD
SCHEMBL29856224 0.70 LMNA (0.37) ALOX15NPSR1ALDH1A1LMNASLC22A12
SCHEMBL29856237 0.70 MAPT (0.40) ALOX15NPSR1ALDH1A1LMNASLC22A12
SCHEMBL29856273 0.68 COMT (0.40) ALOX15NPSR1ALDH1A1LMNASLC22A12

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