SCHEMBL29953045

SCHEMBL29953045

OB(O)c1ccc(Cl)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.40
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLP1R P43220 1/20 0.30

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
SCHEMBL19447994 0.82 CCR1 (0.33) MGLLALDH1A1MAPTKDM4E
SCHEMBL29954016 0.81 BACE1 (0.37) MGLLALDH1A1MAPTKDM4E
SCHEMBL13260558 0.78 LMNA (0.34) MGLLKDM4E
SCHEMBL29951839 0.78 MGLL (0.33) MGLL
SCHEMBL29953143 0.78 MGLL (0.33) MGLL
SCHEMBL17251940 0.74 MGLL (0.31) MGLL
SCHEMBL29957707 0.74 TSHR (0.37) KDM4EXBP1NPSR1
SCHEMBL21055330 0.74 TSHR (0.37) KDM4EXBP1NPSR1
SCHEMBL2557080 0.74 GLP1R (0.33) GLP1R
SCHEMBL16274520 0.74 XPO1 (0.40) XPO1ALDH1A1MAPTKDM4EXBP1

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