SCHEMBL8501256

SCHEMBL8501256

NN=CNc1cccc(S(=O)(=O)Nc2cccc(C3(F)CC(CCC(=O)O)=CC(F)=C3F)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
PFKFB3 Q16875 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FABP1 P07148 1/20 0.33
GAA P10253 1/20 0.33
HTR6 P50406 4/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 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
SCHEMBL8500892 0.85 PTGDR2 (0.35) KMT2APTGDR2MAPTPFKFB3MEN1
SCHEMBL8502800 0.75 MAPT (0.33) KMT2APTGDR2MAPTPFKFB3MEN1
SCHEMBL8499997 0.73 PFKFB3 (0.41) KMT2APTGDR2MAPTPFKFB3MEN1
SCHEMBL7376815 0.73 ALDH1A1 (0.55) KMT2AMAPTMEN1HTR6CA1
SCHEMBL8501758 0.72 HTR6 (0.43) KMT2AMAPTPFKFB3MEN1HPGD
SCHEMBL8501524 0.71 PFKFB3 (0.47) KMT2APTGDR2MAPTPFKFB3MEN1
SCHEMBL8500104 0.71 CA1 (0.32) PFKFB3FABP1HTR6CA1CA2
SCHEMBL8500583 0.71 PFKFB3 (0.39) KMT2APTGDR2MAPTPFKFB3MEN1
SCHEMBL8371225 0.69 ITGB3 (0.53) KMT2AMAPTPFKFB3MEN1HTR6
SCHEMBL8496888 0.68 CA1 (0.32) CA1CA2

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-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed