SCHEMBL29951268

SCHEMBL29951268

OB(O)c1c(C(F)(F)F)ccnc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.32
KMO O15229 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TDO2 P48775 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
SCHEMBL29951335 0.81 MGLL (0.32) MGLLKMO
SCHEMBL29955031 0.79 NOS3 (0.36) MGLLTSHRHSD17B10
SCHEMBL29955698 0.79 KMO (0.33) MGLLKMO
SCHEMBL2552006 0.78
SCHEMBL1882667 0.75 NAPRT (0.32)
SCHEMBL29953805 0.75 SLC22A12 (0.40) MGLL
SCHEMBL2556677 0.73 KMO (0.43) KMOCYP1A2CYP3A4ALOX15TSHR
SCHEMBL2562841 0.73 TRPV1 (0.44) MGLL
SCHEMBL11099450 0.73 AAK1 (0.35) KMOCYP1A2CYP3A4ALOX15TSHR
SCHEMBL2371767 0.72 CCR1 (0.35)

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