SCHEMBL29953679

SCHEMBL29953679

OB(O)c1cccc(OCc2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
SLC2A1 P11166 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
SLC2A4 P14672 1/20 0.44
CYP27B1 O15528 1/20 0.43
CYP24A1 Q07973 1/20 0.43
APP P05067 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
F2 P00734 1/20 0.42

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
SCHEMBL12420271 0.85 ENPP2 (0.54) ENPP2APPCYP4F2CYP4A11F2
SCHEMBL22315 0.85 CYP4F2 (0.58) ENPP2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL29953375 0.85 LTA4H (0.49) ENPP2SLC2A1SLC2A4F2
SCHEMBL17236537 0.84 APP (0.53) ENPP2MEN1KMT2AAPPCYP4F2
SCHEMBL29954250 0.84 MAPK1 (0.53) ENPP2MAPK1GPR132
SCHEMBL16687440 0.83 ENPP2 (0.56) ENPP2SMN1; SMN2APPCYP4F2CYP4A11
SCHEMBL23988 0.81 NR4A2 (0.58) ENPP2SMN1; SMN2MEN1MAPK1HTT
SCHEMBL29952469 0.81 MAOB (0.62) ENPP2APPF2
SCHEMBL459524 0.81 MAOB (0.60) ENPP2SMN1; SMN2MEN1KMT2ANR4A2
SCHEMBL22563 0.81 ENPP2 (0.67) ENPP2TLR4TLR2APP

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