SCHEMBL8770689

SCHEMBL8770689

CCOc1c(S(C)(=O)=O)ccc(C(=O)c2c(O)ccnc2F)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
COMT P21964 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 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
SCHEMBL8948356 0.90 NPSR1 (0.32) ALDH1A1MAPTNPSR1L3MBTL1HPGD
SCHEMBL8770613 0.79 IKBKB (0.37) ALDH1A1MAPTNPSR1L3MBTL1HSD17B10
SCHEMBL8948445 0.78 ALDH1A1 (0.31) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8465883 0.74 IKBKB (0.39) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL8464103 0.73 IKBKB (0.37) ALDH1A1MAPTNPSR1L3MBTL1HSD17B10
SCHEMBL8770747 0.73 L3MBTL1 (0.41) MAPTL3MBTL1
SCHEMBL8461473 0.71 HCRTR1 (0.31)
SCHEMBL8461471 0.68 HCRTR2 (0.31) ALDH1A1L3MBTL1
SCHEMBL29002977 0.67 ABCB1 (0.32)
SCHEMBL3867685 0.67 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1KDM4EHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796246-A1 3-BENZOYLPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1997-09-24 EP disclosed
US-5565413-A Substituted pyridyl phenyl ketone herbicides ZENECA LIMITED (GB) 1996-10-15 US disclosed
WO-1996017829-A2 3-BENZOYLPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1996-06-13 WO disclosed