SCHEMBL8559710

SCHEMBL8559710

NS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.42
PTGS1 P23219 6/20 0.42
USP1 O94782 1/20 0.39
USP19 O94966 1/20 0.39
UCHL3 P15374 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NR4A2 P43354 3/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.38
SCN9A Q15858 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL8557473 0.92 NR4A2 (0.44) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8561129 0.91 PTGS2 (0.44) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8555554 0.90 RXRA (0.47) PTGS2PTGS1TRPV1NR4A2RXRA
SCHEMBL8560576 0.89 RXRA (0.46) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL8560340 0.89 RXRA (0.46) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8554948 0.88 PTGS2 (0.42) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8557001 0.88 RXRA (0.40) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8556639 0.86 FAAH (0.36) NR4A2SCN9ACA12CA1CA2
SCHEMBL8561143 0.86 POLB (0.37) PTGS2PTGS1TRPV1CA12CA1
SCHEMBL8556976 0.86 SCN9A (0.44) RXRARXRBRXRGSCN9ASMN1; SMN2

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