SCHEMBL2667684

SCHEMBL2667684

CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)N4CCC4)cc3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
TSHR P16473 4/20 0.65
MAPK1 P28482 3/20 0.65
LMNA P02545 3/20 0.65
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
GCK P35557 3/20 0.52
KCNH2 Q12809 2/20 0.52
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.44

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 0.99 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL9071012 0.94 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL2667385 0.92 ALDH1A1 (0.69) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL2667665 0.92 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL2667369 0.91 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL2667578 0.90 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL2667560 0.90 GCK (0.56) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL2667705 0.90 GCK (0.63) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL9071053 0.88 GCK (0.55) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL9070854 0.88 GCK (0.53) ALDH1A1TSHRMAPK1LMNACYP1A2

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