SCHEMBL6023223

SCHEMBL6023223

CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 16/20 0.77
▸ PTGS1 P23219 2/20 0.77
▸ PTGS2 P35354 2/20 0.77
▸ HPGD P15428 2/20 0.77
▸ KDM4E B2RXH2 1/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ MLNR O43193 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ MMP1 P03956 1/20 0.77
▸ MPO P05164 1/20 0.77
▸ CYP1A2 P05177 1/20 0.77
▸ GLA P06280 1/20 0.77
▸ CYP3A4 P08684 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ CYP2C9 P11712 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ TBXA2R P21731 1/20 0.77
▸ SLC6A2 P23975 1/20 0.77
▸ APEX1 P27695 1/20 0.77

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
Nimesulide SCHEMBL4796058 0.87 CYP19A1 (1.00) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL29393272 0.87 CYP19A1 (1.00) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL24882 0.87 CYP19A1 (1.00) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL3367702 0.86 CYP19A1 (0.97) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL3367706 0.86 CYP19A1 (0.97) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL25233223 0.86 CYP19A1 (0.97) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL3120335 0.86 CYP19A1 (0.97) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL10381405 0.86 CYP19A1 (0.97) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL11790433 0.86 CYP19A1 (0.97) CYP19A1PTGS1PTGS2HPGDKDM4E
Nimesulide SCHEMBL29106069 0.86 CYP19A1 (0.97) CYP19A1PTGS1PTGS2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363669-A2 METHOD OF USING A CYCLOOXYGENASE-2 INHIBITOR AND SEX STEROIDS AS A COMBINATION THERAPY FOR THE TREATMENT AND PREVENTION OF DISMENORRHEA Pharmacia Corporation (US) 2003-11-26 — — EP claimed
WO-2002062391-A2 METHOD OF USING A CYCLOOXYGENASE-2 INHIBITOR AND SEX STEROIDS AS A COMBINATION THERAPY FOR THE TREATMENT AND PREVENTION OF DISMENORRHEA PHARMACIA CORPORATION (US) 2002-08-15 — — WO claimed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
EP-1670417-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHENIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY Pharmacia Corporation (US) 2006-06-21 — — EP disclosed
WO-2005037193-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-04-28 — — WO disclosed
EP-1363669-A2 METHOD OF USING A CYCLOOXYGENASE-2 INHIBITOR AND SEX STEROIDS AS A COMBINATION THERAPY FOR THE TREATMENT AND PREVENTION OF DISMENORRHEA Pharmacia Corporation (US) 2003-11-26 — — EP disclosed
WO-2002062391-A2 METHOD OF USING A CYCLOOXYGENASE-2 INHIBITOR AND SEX STEROIDS AS A COMBINATION THERAPY FOR THE TREATMENT AND PREVENTION OF DISMENORRHEA PHARMACIA CORPORATION (US) 2002-08-15 — — WO disclosed
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