SCHEMBL6001840

SCHEMBL6001840

CCOC(=O)Oc1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ECE1 P42892 1/20 0.34
TP53 P04637 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.33
PTPN11 Q06124 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL6002334 0.89 SMN1; SMN2 (0.39) PKMMEN1ALDH1A1GAAKMT2A
SCHEMBL6002238 0.89 CACNA1B (0.40) CACNA1BPKMMEN1ALDH1A1GAA
SCHEMBL6000254 0.85 MEN1 (0.41) CACNA1BPKMMEN1ALDH1A1GAA
SCHEMBL6001790 0.85 CACNA1B (0.44) CACNA1BPKMMEN1ALDH1A1GAA
SCHEMBL6001987 0.83 SMN1; SMN2 (0.41) MEN1ALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL6001797 0.83 CACNA1B (0.38) CACNA1BPKMMEN1ALDH1A1GAA
SCHEMBL6002236 0.81 SERPINE1 (0.43) CACNA1BMAPK1SMN1; SMN2ECE1PSEN1
SCHEMBL6002337 0.80 ECE1 (0.41) ALDH1A1GAAMAPK1SMN1; SMN2ECE1
SCHEMBL6002268 0.76 MAPK1 (0.38) MAPK1SMN1; SMN2ECE1EPHX2PTPN11
SCHEMBL6001895 0.73 POLB (0.47) MEN1ALDH1A1KMT2AMAPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed