SCHEMBL8917402

SCHEMBL8917402

O=S(=O)(Nn1nc(C(F)F)c2ccc3cc(OC(F)(F)F)ccc3c21)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.40
KAT6A Q92794 3/20 0.38
PTGES2 Q9H7Z7 2/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
MMP3 P08254 1/20 0.33
ACP1 P24666 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL8916300 0.88 MEN1 (0.39) SLC40A1MEN1KMT2A
SCHEMBL8918176 0.83 CCR3 (0.36) SLC40A1MEN1KMT2APTGDR2
SCHEMBL8918039 0.83 HSD17B1 (0.35) SLC40A1MEN1KMT2A
SCHEMBL8917696 0.81 GAA (0.39) MEN1KMT2AMMP3MMP2
SCHEMBL8917789 0.80 HTR6 (0.38) MEN1KMT2A
SCHEMBL8917165 0.78 CYP1A2 (0.31)
SCHEMBL8917343 0.74 PTGS2 (0.41)
SCHEMBL8920824 0.73 SLC40A1 (0.37) SLC40A1
SCHEMBL8917762 0.73 KAT6A (0.38) SLC40A1KAT6AMEN1KMT2A
SCHEMBL8916155 0.72 HTR6 (0.36) SLC40A1MEN1KMT2A

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed