SCHEMBL29709808

SCHEMBL29709808

Cc1ccc(Cl)cc1NC(=O)c1cn(-c2ccc(F)c(O)c2F)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
USP2 O75604 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOTUM Q6P988 1/20 0.41
DDT P30046 1/20 0.41
KCNMA1 Q12791 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL22914931 1.00 MAPT (0.48) MAPTUSP2HDAC8GAALMNA
SCHEMBL22914920 0.88 MAPT (0.50) MAPTUSP2HDAC8GAALMNA
SCHEMBL29709838 0.88 MAPT (0.50) MAPTUSP2HDAC8GAALMNA
SCHEMBL22914939 0.87 MAPT (0.48) MAPTUSP2HDAC8GAALMNA
SCHEMBL22914924 0.87 MAPT (0.50) MAPTUSP2HDAC8GAALMNA
SCHEMBL29709825 0.87 MAPT (0.50) MAPTUSP2HDAC8GAALMNA
SCHEMBL22914919 0.83 DDT (0.50) MAPTUSP2GAALMNAPOLB
SCHEMBL29709845 0.83 DDT (0.50) MAPTUSP2GAALMNAPOLB
SCHEMBL22914935 0.81 MAPT (0.51) MAPTUSP2GAALMNAPOLB
SCHEMBL22914930 0.81 MAPT (0.51) MAPTUSP2GAALMNAPOLB

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
EP-4003009-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY Oregon Health & Science University (US) 2022-06-01 EP disclosed