SCHEMBL8423196

SCHEMBL8423196

CCCCOc1nc(-c2ccc(F)cc2)cc(-c2ccccc2S(N)(=O)=O)c1CNC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 6/20 0.42
SQOR Q9Y6N5 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
ALOX5AP P20292 4/20 0.38
FEN1 P39748 4/20 0.38
CA9 Q16790 1/20 0.38
F10 P00742 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL8421107 0.89 PTGS2 (0.47) SGK1SQORMEN1KMT2APTGS1
SCHEMBL8423260 0.87 SGK1 (0.42) SGK1SQORMEN1KMT2APTGS1
SCHEMBL8423199 0.86 PTGS2 (0.48) SQORMEN1KMT2APTGS1PTGS2
SCHEMBL8423053 0.81 PTGS1 (0.42) SGK1SQORMEN1KMT2APTGS1
SCHEMBL8419905 0.80 PTGS2 (0.40) SGK1PTGS1PTGS2ALOX5APFEN1
SCHEMBL8424481 0.78 PTGS1 (0.39) SGK1SQORMEN1KMT2APTGS1
SCHEMBL8421300 0.78 PTGS2 (0.39) SGK1PTGS1PTGS2F10TRPV1
SCHEMBL8423386 0.77 PTGS1 (0.39) SGK1SQORMEN1KMT2APTGS1
SCHEMBL8419782 0.77 PTGS2 (0.47) SGK1PTGS1PTGS2ALOX5APFEN1
SCHEMBL8423417 0.75 PTGS2 (0.39) PTGS1PTGS2ALOX5APFEN1F10

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-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed