SCHEMBL29951265

SCHEMBL29951265

OB(O)c1cnc2ccccc2c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GPR3 P46089 1/20 0.47
ERN1 O75460 1/20 0.39
MAPT P10636 1/20 0.35
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SSTR2 P30874 1/20 0.33
EGFR P00533 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NCF1 P14598 1/20 0.33
NUDT1 P36639 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 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
SCHEMBL29955234 0.79 KDM4E (0.44) KDM4EGPR3ERN1MAPTPDPK1
SCHEMBL29954370 0.79 MAOA (0.47) KDM4EGPR3ERN1MAPTPDPK1
SCHEMBL20600552 0.76 KDM4E (0.52) KDM4EERN1MAPT
SCHEMBL25203412 0.75 KDM4E (0.40) KDM4EGPR3ERN1MAPTPDPK1
SCHEMBL17685059 0.75 POLB (0.52) KDM4EGPR3ERN1PDPK1ALDH1A1
SCHEMBL23474020 0.75 GPR3 (0.52) KDM4EGPR3ERN1TLR7
SCHEMBL22758237 0.72 KDM4E (0.48) KDM4EGPR3ERN1PDPK1NCF1
SCHEMBL31716565 0.71 GPR3 (0.52) KDM4EGPR3ERN1PDPK1NCF1
SCHEMBL482068 0.71 NCF1 (0.50) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11734493 0.71 KDM4E (0.52) KDM4EGPR3ERN1MAPTALDH1A1

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