SCHEMBL7119686

SCHEMBL7119686

O=S(=O)(Nc1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.63
CA2 P00918 8/20 0.61
PTPN11 Q06124 1/20 0.61
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
CA1 P00915 5/20 0.55
TGM2 P21980 1/20 0.50
SLC22A12 Q96S37 1/20 0.46
FKBP1A P62942 1/20 0.44
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7527132 0.81 PTPN1 (0.66) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL3155581 0.79 PTPN1 (0.63) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL7435640 0.79 PTPN1 (0.63) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL13690232 0.79 PTPN11 (0.67) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL4049597 0.79 CA2 (0.67) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL11121097 0.79 PTPN11 (0.72) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL25802961 0.79 PTPN1 (0.63) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL7524156 0.79 PTPN1 (0.63) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL6881190 0.79 PTPN1 (0.63) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL25797655 0.79 CA2 (0.55) PTPN1CA2PTPN11MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed