SCHEMBL8554948

SCHEMBL8554948

NS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1-c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
ALOX5AP P20292 6/20 0.41
FEN1 P39748 6/20 0.41
F10 P00742 2/20 0.40
SCN9A Q15858 1/20 0.35
MAOB P27338 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GPR68 Q15743 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
RXRA P19793 2/20 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
SCHEMBL8557992 0.92 ALOX5AP (0.41) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8559238 0.91 PTGS2 (0.42) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8558565 0.91 PTGS2 (0.44) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8560736 0.88 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1SCN9A
SCHEMBL8559710 0.88 PTGS2 (0.42) PTGS2PTGS1ALOX5APFEN1SCN9A
SCHEMBL8557001 0.88 RXRA (0.40) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8555554 0.87 RXRA (0.47) PTGS2PTGS1ALOX5APFEN1SCN9A
SCHEMBL8557473 0.87 NR4A2 (0.44) PTGS2PTGS1SCN9ARXRARXRB
SCHEMBL8560340 0.86 RXRA (0.46) PTGS2PTGS1F10RXRARXRB
SCHEMBL8556639 0.86 FAAH (0.36) ALOX5APFEN1SCN9ACA12CA1

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed