SCHEMBL7208205

SCHEMBL7208205

CCOC(=O)c1[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
HPGD P15428 4/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
HIF1A Q16665 6/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.44
LMNA P02545 2/20 0.44
GALR3 O60755 1/20 0.44
HTT P42858 1/20 0.43
TUBB4A P04350 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
SCHEMBL7637344 0.83 NQO2 (0.43) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL7208606 0.82 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL20769954 0.81 BRD4 (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL20769907 0.81 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL6001740 0.79 MMP13 (0.75) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL20794663 0.78 KDM4E (0.62) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL20769964 0.76 KDM4E (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3283431 0.76 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL7688090 0.75 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL7214330 0.75 KDM4E (0.56) ALDH1A1KDM4EHPGDMAPTHIF1A

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 5 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
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO disclosed