SCHEMBL7207808

SCHEMBL7207808

Cc1[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc2c1CC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NFKB1 P19838 5/20 0.41
HPGD P15428 3/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN5 P54829 1/20 0.39
PSMD14 O00487 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL7213112 0.91 ANO1 (0.47) HTR1FKDM4EALDH1A1MAPTGAA
SCHEMBL7208174 0.89 PPARA (0.47) HTR1FKDM4EALDH1A1MAPTGAA
SCHEMBL7213100 0.85 KDM4E (0.57) HTR1FKDM4EALDH1A1MAPTGAA
SCHEMBL7213103 0.79 KDM4E (0.41) HTR1FKDM4EALDH1A1MAPTGAA
SCHEMBL7214330 0.75 KDM4E (0.56) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL7208144 0.71 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL6001978 0.71 NHERF1 (0.66) KDM4EMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7279576 0.70 MAPK1 (0.62) ALDH1A1GAAKMT2AMAPK1SMN1; SMN2
SCHEMBL6001764 0.69 ECE1 (0.43) MAPTMAPK1SMN1; SMN2CA12CA1
SCHEMBL7208205 0.69 ALDH1A1 (0.56) KDM4EALDH1A1MAPTGAAMEN1

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