SCHEMBL8918176

SCHEMBL8918176

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
SLC40A1 Q9NP59 1/20 0.35
MAP2K4 P45985 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAP2K7 O14733 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
KCNH2 Q12809 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
SCHEMBL8918039 0.88 HSD17B1 (0.35) SLC40A1CYP2C9MEN1KMT2A
SCHEMBL8917696 0.86 GAA (0.39) MEN1KMT2A
SCHEMBL8917789 0.85 HTR6 (0.38) MEN1KMT2A
SCHEMBL8916300 0.85 MEN1 (0.39) SLC40A1MEN1KMT2AEGFRERBB2
SCHEMBL8917165 0.83 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8917402 0.83 SLC40A1 (0.40) PTGDR2SLC40A1MEN1KMT2A
SCHEMBL8920824 0.80 SLC40A1 (0.37) SLC40A1HTTEGFRERBB2
SCHEMBL8917762 0.78 KAT6A (0.38) SLC40A1HTTMEN1KMT2A
SCHEMBL8916155 0.74 HTR6 (0.36) SLC40A1HTTMEN1KMT2A
SCHEMBL8917377 0.74 ALDH1A1 (0.36) KMT2A

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