SCHEMBL29856283

SCHEMBL29856283

CC(C)c1cc2ccncc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
MAPT P10636 1/20 0.43
SNCA P37840 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
DHFR P00374 1/20 0.38
SLC2A1 P11166 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
NR3C1 P04150 2/20 0.35
NR3C2 P08235 2/20 0.35
PGR P06401 1/20 0.35
CHUK O15111 5/20 0.35
KDM4E B2RXH2 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
IKBKB O14920 1/20 0.35
AURKA O14965 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIM1 P11309 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
SCHEMBL3357467 1.00 DAO (0.49) DAOMAPTSNCAHRH4DHFR
SCHEMBL13656963 0.86 DAO (0.46) DAOMAPTSNCAHRH4CLK2
SCHEMBL4269626 0.86 DAO (0.50) DAOMAPTSNCAHRH4CLK2
SCHEMBL14327807 0.85 DAO (0.49) DAOMAPTSNCAHRH4DHFR
Hydrochloric Acid SCHEMBL4271746 0.84 DAO (0.45) DAOMAPTSNCAHRH4CLK2
SCHEMBL4271962 0.83 DAO (0.47) DAOMAPTSNCAHRH4CLK2
SCHEMBL23934135 0.80 DAO (0.42) DAOMAPTSNCAHRH4CLK2
SCHEMBL4271774 0.79 DAO (0.44) DAOMAPTSNCAHRH4NR3C1
SCHEMBL22016193 0.76 DAO (0.59) DAOMAPTSNCAHRH4GSK3B
SCHEMBL4041624 0.76 KDM4E (0.41) DAOMAPTSNCAHRH4NR3C1

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