SCHEMBL8920824

SCHEMBL8920824

O=S(=O)(Nn1nc(C(F)F)c2ccc3c(Cl)c(F)ccc3c21)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.37
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
PGR P06401 1/20 0.30
MAP3K8 P41279 1/20 0.30
FBP1 P09467 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
IL1RN P18510 1/20 0.30
KEAP1 Q14145 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL8916155 0.85 HTR6 (0.36) SLC40A1POLBALDH1A1HTT
SCHEMBL8917377 0.85 ALDH1A1 (0.36) NPSR1RXFP1ALDH1A1EDNRBEDNRA
SCHEMBL8918176 0.80 CCR3 (0.36) SLC40A1HTTEGFRERBB2
SCHEMBL8918039 0.77 HSD17B1 (0.35) SLC40A1ALDH1A1ERAP1
SCHEMBL8918357 0.77 HPGD (0.37) POLBALDH1A1GAAHTT
SCHEMBL8917696 0.75 GAA (0.39) POLBALDH1A1GAA
SCHEMBL8916300 0.74 MEN1 (0.39) SLC40A1POLBGAAEGFRERBB2
SCHEMBL8917789 0.74 HTR6 (0.38) ALDH1A1KEAP1
SCHEMBL8688502 0.74 NPSR1 (0.35) SLC40A1NPSR1RXFP1POLBGAA
SCHEMBL8917402 0.73 SLC40A1 (0.40) SLC40A1

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