SCHEMBL9070817

SCHEMBL9070817

CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCOCC4)cn3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
GCK P35557 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 4/20 0.44
LMNA P02545 3/20 0.44
TRPV4 Q9HBA0 1/20 0.44
POLB P06746 1/20 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
SCHEMBL9070967 0.94 GCK (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9070840 0.93 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2667351 0.92 GCK (0.48) ALDH1A1MAPTGCKSMN1; SMN2MAPK1
SCHEMBL2667782 0.91 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9070812 0.89 GCK (0.54) ALDH1A1MAPTGCKSMN1; SMN2MAPK1
SCHEMBL9070969 0.86 GCK (0.54) GCK
SCHEMBL9070915 0.86 MAPT (0.53) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9070948 0.86 MAPT (0.53) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2667546 0.86 MAPT (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2667474 0.85 MAPT (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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