SCHEMBL8605986

SCHEMBL8605986

NS(=O)(=O)c1ccccc1-c1nc(CNC(=O)NO)oc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.43
RXRB P28702 7/20 0.43
RXRG P48443 6/20 0.43
NR4A2 P43354 3/20 0.41
F10 P00742 8/20 0.40
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8604310 0.92 RXRA (0.43) RXRARXRBRXRGNR4A2F10
SCHEMBL6308847 0.87 RXRA (0.46) RXRARXRBRXRGNR4A2F10
SCHEMBL8605984 0.84 RXRA (0.47) RXRARXRBRXRGNR4A2CA2
SCHEMBL8604308 0.84 RXRA (0.47) RXRARXRBRXRGNR4A2CA2
SCHEMBL8604021 0.83 PTGS1 (0.41) RXRARXRBRXRGNR4A2F10
SCHEMBL6309740 0.83 RXRA (0.49) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8606386 0.82 KDM4E (0.46) RXRARXRBRXRGNR4A2F10
SCHEMBL8607286 0.82 PTGS1 (0.40) RXRARXRBRXRGNR4A2CA9
SCHEMBL8604374 0.82 NR4A2 (0.47) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8606987 0.80 CA2 (0.41) F10CA2CA9KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828718-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996038418-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 WO disclosed