SCHEMBL8948356

SCHEMBL8948356

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KAT6A Q92794 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
SYK P43405 1/20 0.31
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL8770689 0.90 ALDH1A1 (0.32) NPSR1L3MBTL1HPGDALDH1A1MAPT
SCHEMBL8770613 0.80 IKBKB (0.37) NPSR1L3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL8465883 0.75 IKBKB (0.39) L3MBTL1MEN1HPGDTSHRKMT2A
SCHEMBL8464103 0.74 IKBKB (0.37) NPSR1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL8770747 0.74 L3MBTL1 (0.41) L3MBTL1MAPTCYP2C9
SCHEMBL8948445 0.72 ALDH1A1 (0.31) MEN1HPGDKMT2AALDH1A1MAPT
SCHEMBL8461473 0.72 HCRTR1 (0.31)
SCHEMBL8461471 0.69 HCRTR2 (0.31) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3867685 0.68 ALDH1A1 (0.35) NPSR1HPGDTSHRALDH1A1MAPT
SCHEMBL8465758 0.68 KMT2A (0.34) MEN1TSHRKMT2AALDH1A1MAPT

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-5565413-A Substituted pyridyl phenyl ketone herbicides ZENECA LIMITED (GB) 1996-10-15 US disclosed