SCHEMBL2650105

SCHEMBL2650105

COC(=O)c1cc(Cl)c(O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ABL1 P00519 1/20 0.49
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL14885169 0.90 CA12 (0.50) GAAABL1CA12CA1CA2
SCHEMBL70011 0.89 GAA (0.58) GAAABL1CA12CA1CA2
SCHEMBL2726967 0.88 CA12 (0.53) GAAABL1CA12CA1CA2
SCHEMBL30463099 0.88 CA12 (0.53) GAAABL1CA12CA1CA2
SCHEMBL7415528 0.86 CA12 (0.55) GAAABL1CA12CA1CA2
SCHEMBL19328690 0.85 GAA (0.55) GAAABL1CA12CA1CA2
SCHEMBL17010320 0.85 ABL1 (0.46) GAAABL1CA12CA1CA2
SCHEMBL27433957 0.85 GAA (0.47) GAAABL1CA12CA1CA2
SCHEMBL30966092 0.85 GAA (0.47) GAAABL1CA12CA1CA2
SCHEMBL7948445 0.83 NR4A2 (0.46) GAAABL1CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed