SCHEMBL2653575

SCHEMBL2653575

CCCOc1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)OC)cn2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.72
RARA P10276 3/20 0.55
RARB P10826 3/20 0.55
RARG P13631 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CXCR2 P25025 1/20 0.50

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
SCHEMBL2652506 0.94 GCK (0.81) GCKRARARARBRARGMEN1
SCHEMBL5430262 0.89 GCK (0.72) GCKRARARARBRARGMEN1
SCHEMBL2651714 0.87 GCK (0.85) GCKRARARARBRARG
SCHEMBL14505831 0.87 GCK (0.70) GCKRARARARBRARGMEN1
SCHEMBL2653357 0.86 NPC1 (0.56) GCKRARARARBRARGNPC1
SCHEMBL2655428 0.86 GCK (0.75) GCKRARARARBRARG
SCHEMBL2654489 0.86 GCK (0.75) GCKRARARARBRARG
SCHEMBL5430637 0.85 GCK (0.73) GCKRARARARBRARG
SCHEMBL2655429 0.85 GCK (0.70) GCKRARARARBRARG
SCHEMBL2655968 0.85 GCK (0.67) GCKRARARARBRARGMEN1

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-1697325-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2006-09-06 EP disclosed
WO-2005056530-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2005-06-23 WO disclosed