SCHEMBL7208208

SCHEMBL7208208

Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1C(C)c1ccc(NS(=O)(=O)C(F)(F)F)cc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
PTPN11 Q06124 1/20 0.49
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.46
CA2 P00918 5/20 0.45
PTGS1 P23219 6/20 0.44
PTGS2 P35354 6/20 0.44
CA1 P00915 3/20 0.41
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
EPHX2 P34913 1/20 0.37

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
SCHEMBL6001827 0.76 PTPN11 (0.50) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL7208755 0.75 PTPN11 (0.61) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL10933116 0.73 ALDH1A1 (0.43) ALDH1A1HPGDPTPN11CA2PTGS1
SCHEMBL17774980 0.72 PTPN11 (0.67) ALDH1A1HPGDPTPN11MAPK1SMN1; SMN2
SCHEMBL463003 0.72 PTPN11 (0.53) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL2238680 0.72 PTPN11 (0.45) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL31349819 0.71 PTPN11 (0.47) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL2237299 0.71 NR1H4 (0.51) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL12153756 0.70 CA2 (0.61) HPGDPTPN11MAPK1SMN1; SMN2PTPN1
SCHEMBL27793381 0.69 PTPN11 (0.46) ALDH1A1HPGDPTPN11MAPK1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003508382-A 2003-03-04 JP claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed