SCHEMBL29953859

SCHEMBL29953859

OB(O)c1c[nH]c2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.44
KCNMA1 Q12791 5/20 0.40
GRM4 Q14833 1/20 0.40
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
HSP90AA1 P07900 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKD1 Q15139 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
PARP1 P09874 3/20 0.35
PDE9A O76083 1/20 0.35
MMP2 P08253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL369216 0.75 PSMD14 (0.48) PSMD14GRM4ADORA3ADORA2AKDR
SCHEMBL2066259 0.75 PSMD14 (0.48) PSMD14KCNMA1GRM4ADORA3ADORA2A
SCHEMBL3219684 0.73 PSMD14 (0.47) PSMD14GRM4ADORA3ADORA2AKDR
Potassium SCHEMBL3219697 0.73 PSMD14 (0.47) PSMD14GRM4ADORA3ADORA2AKDR
SCHEMBL12006266 0.72 PARP1 (0.50) PARP1LMNA
SCHEMBL12479995 0.71 PBRM1 (0.54) PSMD14GRM4CYP2C19NPC1L3MBTL1
SCHEMBL29601281 0.71 PBRM1 (0.54) PSMD14GRM4CYP2C19NPC1L3MBTL1
SCHEMBL29951554 0.71 MAP4K1 (0.39) PARP1KDM4E
SCHEMBL569155 0.71 AXL (0.50) PSMD14KCNMA1GRM4KDRFLT3
SCHEMBL22510135 0.71 PSMD14 (0.48) PSMD14GRM4HSP90AA1L3MBTL1PARP1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed