SCHEMBL8477498

SCHEMBL8477498

Cc1ccc(-c2noc(C)c2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.51
BRD2 P25440 3/20 0.51
BRD3 Q15059 3/20 0.51
PTGS2 P35354 6/20 0.50
MT-CO2 P00403 3/20 0.50
PTGS1 P23219 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA12 O43570 1/20 0.50
LMNA P02545 1/20 0.50
CA3 P07451 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
CA6 P23280 1/20 0.50

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
SCHEMBL8473540 0.92 PTGS2 (0.51) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL8350436 0.87 PTGS2 (0.51) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL8474184 0.87 PTGS2 (0.52) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL6169839 0.87 PTGS2 (0.54) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL8473939 0.86 BRD4 (0.51) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL6732729 0.86 BRD4 (0.51) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL6722633 0.86 BRD4 (0.56) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL8473861 0.85 PTGS2 (0.67) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL8476998 0.84 PAX8 (0.49) BRD4BRD2BRD3PTGS2MT-CO2
SCHEMBL8477992 0.83 PTGS2 (0.57) BRD4BRD2BRD3PTGS2MT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed