SCHEMBL8917778

SCHEMBL8917778

O=S(=O)(Nn1ncc2ccc3cc(F)ccc3c21)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.39
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
BRD4 O60885 3/20 0.36
AHR P35869 1/20 0.34
S1PR1 P21453 1/20 0.34
MCL1 Q07820 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
EPAS1 Q99814 1/20 0.33
SCN9A Q15858 2/20 0.33
DDR1 Q08345 2/20 0.33
SPR P35270 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL8916678 0.91 SGK1 (0.38) SGK1ALOX5APFEN1BRD4S1PR1
SCHEMBL8917459 0.90 MCL1 (0.41) ALOX5APFEN1AHRMCL1
SCHEMBL8917282 0.87 PLAU (0.38) SGK1ALOX5APFEN1BRD4SCN9A
SCHEMBL8916161 0.83 NR3C1 (0.44)
SCHEMBL8919620 0.83 MAPT (0.34) SGK1
SCHEMBL8917798 0.82 MCL1 (0.47) SGK1MCL1DDR1
SCHEMBL8917485 0.80 ALDH1A1 (0.49) MCL1
SCHEMBL8918579 0.77 ALDH1A1 (0.40) MCL1
SCHEMBL8916165 0.77 LMNA (0.40) SGK1MCL1
SCHEMBL8920658 0.75 ALDH1A1 (0.39) MCL1SCN9A

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