SCHEMBL4727764

SCHEMBL4727764

NS(=O)(=O)c1ccccc1N[C]=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.62
CA1 P00915 13/20 0.62
CA9 Q16790 4/20 0.62
CA6 P23280 3/20 0.62
CA12 O43570 2/20 0.62
CA5A P35218 2/20 0.62
CA7 P43166 2/20 0.62
CA5B Q9Y2D0 2/20 0.62
CA4 P22748 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PTGES2 Q9H7Z7 5/20 0.46

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
SCHEMBL11521177 0.80 TTR (0.44) CA2CA1CA9CA6CA12
SCHEMBL9490805 0.77 HTR6 (0.62)
SCHEMBL31060499 0.77 CA2 (1.00) CA2CA1CA9CA6CA12
SCHEMBL1425352 0.77 CA2 (1.00) CA2CA1CA9CA6CA12
SCHEMBL3363295 0.75 CA2 (0.67) CA2CA1CA9CA6CA12
SCHEMBL30335715 0.75 CA2 (0.67) CA2CA1CA9CA6CA12
SCHEMBL3694286 0.75 CA2 (0.67) CA2CA1CA9CA6CA12
Hydrochloric Acid SCHEMBL5798932 0.75 CA2 (0.96) CA2CA1CA9CA6CA12
SCHEMBL11463688 0.75 L3MBTL1 (0.37) CA2CA1CA9CA6CA12
SCHEMBL1177212 0.73 CA1 (0.40) CA2CA1CA9CA6CA12

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
WO-2008017840-A1 CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2008-02-14 WO claimed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP claimed
EP-0160508-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-06 EP claimed
WO-1996035417-A1 COMBINATIONS OF ANTI-OESTROGEN COMPOUNDS AND PKC MODULATORS AND THEIR USE IN CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-11-14 WO disclosed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4760061-A Antioestrogenic agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
EP-0160508-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-06 EP disclosed