SCHEMBL29856443

SCHEMBL29856443

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ROCK2 O75116 9/20 0.40
KDM5A P29375 1/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NFATC1 O95644 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
PIK3CA P42336 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
SCHEMBL29856192 0.86 KDM5A (0.50) ROCK2KDM5AHDAC2HDAC6
SCHEMBL29856197 0.85 KDM5A (0.39) CNR2GAATSHRHSD17B10ROCK2
SCHEMBL29856296 0.85 PPARG (0.45) CNR2GAAROCK2HDAC2HDAC6
SCHEMBL29856214 0.83 KDM5A (0.40) ROCK2KDM5AHDAC2HDAC6LMNA
SCHEMBL29856217 0.76 TUBB4A (0.41) CNR2KDM5AHDAC2HDAC6LMNA
SCHEMBL29856242 0.73 SRD5A2 (0.46) GAAROCK2KDM5AHDAC2HDAC6
SCHEMBL29856503 0.72 ADORA3 (0.44) ROCK2LMNAPOLBKDM4EHPGD
SCHEMBL29856177 0.71 KDM5A (0.49) TSHRHSD17B10ROCK2KDM5ALMNA
SCHEMBL29856229 0.70 ALOX15 (0.39) HSD17B10LMNAKDM4EALDH1A1HPGD
SCHEMBL29856230 0.69 ROCK2 (0.42) ROCK2HDAC2HDAC6LMNAHPGD

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