SCHEMBL6281034

SCHEMBL6281034

CS(=O)(=O)Nc1cc(N)c([N+](=O)[O-])cc1Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.65
PTGS1 P23219 3/20 0.65
PTGS2 P35354 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
MAPT P10636 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2C9 P11712 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MLNR O43193 1/20 0.65
LMNA P02545 1/20 0.65
MMP1 P03956 1/20 0.65
MPO P05164 1/20 0.65
GLA P06280 1/20 0.65
CYP3A4 P08684 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
TBXA2R P21731 1/20 0.65

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
SCHEMBL9307858 0.85 HPGD (0.51) CYP19A1PTGS1PTGS2MEN1KMT2A
SCHEMBL8523487 0.82 CYP19A1 (0.61) CYP19A1PTGS1PTGS2MEN1KMT2A
SCHEMBL9574619 0.81 SMN1; SMN2 (0.60) CYP19A1PTGS1PTGS2MEN1KMT2A
SCHEMBL8942347 0.80 MAPT (0.55) CYP19A1PTGS1PTGS2MEN1KMT2A
SCHEMBL9561587 0.80 SMN1; SMN2 (0.57) CYP19A1PTGS1PTGS2MEN1KMT2A
Hydrochloric Acid SCHEMBL8942526 0.80 MAPT (0.54) CYP19A1PTGS1PTGS2MEN1KMT2A
SCHEMBL8942460 0.79 MAPT (0.56) CYP19A1PTGS1PTGS2MEN1KMT2A
Nimesulide SCHEMBL29393272 0.79 CYP19A1 (1.00) CYP19A1PTGS1PTGS2MEN1KMT2A
Nimesulide SCHEMBL24882 0.79 CYP19A1 (1.00) CYP19A1PTGS1PTGS2MEN1KMT2A
Nimesulide SCHEMBL4796058 0.79 CYP19A1 (1.00) CYP19A1PTGS1PTGS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6056759-A None JP disclosed
JP-8127533-A None JP disclosed
JP-2005247817-A REMEDY FOR OPHTHALMIC INFLAMMATION AND AQUEOUS SOLUTION CONTAINING 5-AMINO-2-PHENOXYSULFONANILIDE COMPOUND SENJU PHARMACEUT CO LTD 2005-09-15 JP disclosed
EP-0645374-B1 5-AMINO-2-PHENOXYSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 1996-11-20 EP disclosed
JP-H08127533-A COMPOSITION FOR ORAL SOLID PHARMACEUTICAL PREPARATION TAISHO PHARMACEUT CO LTD 1996-05-21 JP disclosed
US-5449826-A Antiinflammatory, antipyretic, antirheumatic, and analgesic agents TAISHO PHARMACEUTICAL CO., LTD. (JP) 1995-09-12 US disclosed
EP-0645374-A1 5-AMINO-2-PHENOXYSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-29 EP disclosed
JP-H0656759-A 5-AMINO-2-PHENOXYSULFONANILIDE COMPOUND TAISHO PHARMACEUT CO LTD 1994-03-01 JP disclosed