SCHEMBL9072500

SCHEMBL9072500

CC(C)Oc1cc(O[C@@H](C)CC2=C=C=CC=C2)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GCK P35557 3/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL2086932 0.82 GCK (0.43) CBFBHDAC3HDAC1HDAC2HDAC8
SCHEMBL10206659 0.74 DHODH (0.41) CBFBGCKKDM4ENPC1ALDH1A1
SCHEMBL2086447 0.74 CBFB (0.42) CBFBHDAC3HDAC1HDAC2HDAC8
SCHEMBL709496 0.74 PRMT5 (0.44) CBFBGCK
SCHEMBL2087030 0.74 GCK (0.46) GCKACHE
SCHEMBL10206658 0.73 NOS3 (0.38) CBFBGCK
SCHEMBL711181 0.72 GCK (0.45) CBFBGCKACHE
SCHEMBL711044 0.72 GCK (0.46) CBFBGCKKDM4ENPC1ALDH1A1
SCHEMBL711559 0.72 GCK (0.46) CBFBHDAC3HDAC1HDAC2HDAC8
SCHEMBL712130 0.72 CBFB (0.41) CBFBGCKACHEKDM4ENPC1

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-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed