SCHEMBL2667775

SCHEMBL2667775

COc1ccc(Oc2cc(C(=O)Nc3cc[nH]n3)cc(OC(C)C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA1 P78396 2/20 0.45
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GCK P35557 2/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9070995 0.91 GCK (0.40) TP53SMN1; SMN2GCKMAPT
SCHEMBL9071023 0.89 GCK (0.54) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL9070927 0.89 SMN1; SMN2 (0.42) TP53SMN1; SMN2GCKLMNAKMT2A
SCHEMBL2667654 0.89 GCK (0.47) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL2667675 0.88 GCK (0.52) GCK
SCHEMBL2667361 0.88 BRD4 (0.42) TP53GCKLMNAALDH1A1GAA
SCHEMBL2667647 0.86 GCK (0.44) GCK
SCHEMBL9071040 0.86 GCK (0.48) GCK
SCHEMBL2667377 0.85 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2GCKLMNA
SCHEMBL2667549 0.85 JAK2 (0.44) RAB9ANPC1SMN1; SMN2GCKADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed