SCHEMBL29965342

SCHEMBL29965342

O=C(O)c1cccc(NC(=O)c2ccc(F)cn2)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.60
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
GRM5 P41594 5/20 0.51
P4HTM Q9NXG6 4/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL28937144 1.00 HTR1F (0.60) HTR1FKDM4ELMNAGRM5P4HTM
SCHEMBL28963589 0.85 MAPT (0.61) HTR1FKDM4EGRM5XIAPBIRC2
SCHEMBL29965657 0.84 HTR1F (0.58) HTR1FKDM4ELMNAGRM5P4HTM
SCHEMBL28937133 0.84 HTR1F (0.58) HTR1FKDM4ELMNAGRM5P4HTM
SCHEMBL28937159 0.82 MEN1 (0.60) HTR1FKDM4ELMNAGRM5P4HTM
SCHEMBL23528940 0.78 HTR1F (0.73) HTR1FGRM5
SCHEMBL28937149 0.77 HTR1F (0.61) HTR1FKDM4ELMNAMEN1KMT2A
SCHEMBL110129 0.77 P4HTM (0.59) KDM4ELMNAP4HTMMEN1KMT2A
SCHEMBL30449388 0.77 P4HTM (0.59) KDM4ELMNAP4HTMMEN1KMT2A
SCHEMBL23733275 0.77 MEN1 (0.62) HTR1FKDM4ELMNAGRM5MEN1

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
CN-110272425-B Pyridyloxyl octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof 广东东阳光药业有限公司 2022-11-04 CN disclosed