SCHEMBL8555727

SCHEMBL8555727

NS(=O)(=O)c1ccccc1-c1oc(Cc2ccccc2)nc1-c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.43
▸ PTGS2 P35354 5/20 0.43
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ NR4A2 P43354 3/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXRG P48443 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 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
SCHEMBL8556213 0.93 PTGS1 (0.40) PTGS1PTGS2CA1CA2NR4A2
SCHEMBL8557401 0.84 NR4A2 (0.46) CA1CA2NR4A2CA12CA9
SCHEMBL7500833 0.83 PTGS2 (0.65) PTGS1PTGS2CA1CA2CA12
SCHEMBL8556864 0.83 SCN9A (0.40) CA2CA9ALDH1A1CA4
SCHEMBL8556768 0.82 NR4A2 (0.45) PTGS1PTGS2NR4A2ALDH1A1LMNA
SCHEMBL8555226 0.82 RXRA (0.46) PTGS1PTGS2NR4A2ALDH1A1MAPT
SCHEMBL8560078 0.82 NR4A2 (0.41) CA1CA2NR4A2CA12CA9
SCHEMBL8559346 0.81 NR4A2 (0.48) CA1CA2NR4A2CA12CA9
SCHEMBL8557928 0.81 RXRA (0.47) CA1CA2NR4A2CA12CA9
SCHEMBL7501908 0.80 PTGS2 (0.54) PTGS1PTGS2CA1CA2CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 — — EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 — — WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 — — US disclosed
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