SCHEMBL8519374

SCHEMBL8519374

Cc1cc(CC(C)(c2ccccc2)S(N)(=O)=O)[nH]c1C(=O)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ KCNN4 O15554 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ MEP1B Q16820 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL8518404 0.92 PTGS2 (0.36) PTGS2PTGS1CA1CA2CA9
SCHEMBL8518395 0.92 KIF11 (0.36) HSD11B1CA2KIF11MEN1KMT2A
SCHEMBL8519802 0.91 HSD11B1 (0.37) POLBHSD11B1KIF11NPC1
SCHEMBL8519027 0.90 PTGS2 (0.33) PTGS2PTGS1GRM5POLBGAA
SCHEMBL8518495 0.90 PPARA (0.34) PTGS2HSD11B1KIF11HTTKMT2A
SCHEMBL8518483 0.88 NR3C1 (0.36) PTGS2KDM4EMEN1HTTKMT2A
SCHEMBL8519158 0.88 STS (0.39) PTGS2PTGS1HSD11B1CA2KIF11
SCHEMBL8519562 0.84 UCHL1 (0.35) PTGS2RXFP1CA9MEN1KMT2A
SCHEMBL8519024 0.83 HSD11B1 (0.40) GAAHSD11B1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL8518628 0.82 TDP1 (0.37) KMT2ANR3C1NR3C2

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-5952368-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 1999-09-14 — — US disclosed
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