SCHEMBL8917282

SCHEMBL8917282

COc1ccc2c(ccc3cnn(NS(=O)(=O)c4cc(C(F)(F)F)ccc4F)c32)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
SGK1 O00141 3/20 0.36
ALPL P05186 2/20 0.35
BRD4 O60885 3/20 0.35
SLC40A1 Q9NP59 1/20 0.35
SCN9A Q15858 5/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
SPR P35270 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL8916165 0.90 LMNA (0.40) PLAUPLATSGK1AKR1C3AKR1C2
SCHEMBL8916678 0.88 SGK1 (0.38) SGK1BRD4SLC40A1ALOX5APFEN1
SCHEMBL8917778 0.87 SGK1 (0.39) SGK1BRD4SCN9ASPRALOX5AP
SCHEMBL8917188 0.84 PLAU (0.48) PLAUPLATSCN9A
SCHEMBL8917798 0.79 MCL1 (0.47) SGK1
SCHEMBL8917485 0.78 ALDH1A1 (0.49)
SCHEMBL8917459 0.78 MCL1 (0.41) ALOX5APFEN1
SCHEMBL8917334 0.77 MEN1 (0.42) PLAUSLC40A1
SCHEMBL8694062 0.76 SLC2A1 (0.32) PLAUPLAT
SCHEMBL8918579 0.76 ALDH1A1 (0.40)

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