SCHEMBL9071012

SCHEMBL9071012

CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
LMNA P02545 5/20 0.58
MAPK1 P28482 5/20 0.58
TSHR P16473 4/20 0.58
POLB P06746 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
GCK P35557 1/20 0.50
KCNH2 Q12809 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.48
KDM4E B2RXH2 6/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 3/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 4/20 0.48
USP2 O75604 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TRPV4 Q9HBA0 1/20 0.46

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
SCHEMBL2667577 0.94 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2667684 0.94 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2667729 0.93 ALDH1A1 (0.73) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL9071011 0.93 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2667782 0.89 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2667705 0.88 GCK (0.63) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2667560 0.88 GCK (0.56) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL9070854 0.87 GCK (0.53) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2667369 0.86 ALDH1A1 (0.72) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2667665 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1TSHRPOLB

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