SCHEMBL7582482

SCHEMBL7582482

O=C(O)C(Nc1cc(O)ccc1Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PIK3C2B O00750 1/20 0.42
PIK3C2G O75747 1/20 0.42
S1PR3 Q99500 3/20 0.40
CAMK2A Q9UQM7 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNQ2 O43526 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SRC P12931 2/20 0.37
MAPT P10636 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
SCHEMBL7577574 0.86 MEN1 (0.48) CA1CA2KMT2AMEN1SMN1; SMN2
SCHEMBL6244215 0.82 KCNQ2 (0.53) CA1CA2KMT2AMEN1CYP1A2
SCHEMBL7573697 0.81 CAMK2A (0.44) CA1CA2KMT2AMEN1CYP1A2
SCHEMBL7576195 0.80 TDP1 (0.51) CA1CA2KMT2AMEN1S1PR3
SCHEMBL7583928 0.77 TAS1R3 (0.51) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL7574221 0.76 ALDH1A1 (0.44) CA1CA2KMT2AMEN1SMN1; SMN2
SCHEMBL7584703 0.76 NPC1 (0.53) CA1CA2KMT2AMEN1S1PR3
SCHEMBL7575575 0.76 KCNMA1 (0.54) KMT2AMEN1SMN1; SMN2KDM4EMAPT
SCHEMBL7576888 0.76 CLCN2 (0.50) CA1CA2KMT2AMEN1CYP3A4
SCHEMBL360635 0.76 CXCL8 (0.45) CA1CA2KMT2AMEN1CYP3A4

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed