SCHEMBL2668002

SCHEMBL2668002

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 5/20 0.58
MAPK1 P28482 3/20 0.58
TSHR P16473 1/20 0.58
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

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
SCHEMBL2667389 0.98 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL2667529 0.94 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL2667730 0.93 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL2667369 0.92 ALDH1A1 (0.72) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL2667385 0.90 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL2667665 0.90 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL2667366 0.89 TDP1 (0.66) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL2667443 0.88 GCK (0.60) GCKKCNH2
SCHEMBL2667386 0.87 TDP1 (0.64) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL9071041 0.87 GCK (0.51) ALDH1A1LMNAMAPK1TSHRCYP1A2

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