SCHEMBL5223615

SCHEMBL5223615

CCOC(=O)c1cnc(NC(=O)c2cc(OCC(C)C)c3cc(C)oc3c2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.41
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2653773 0.90 GCK (0.43) GCKKCNH2MYCMAX
SCHEMBL2654282 0.81 SMN1; SMN2 (0.51) GCKHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL2655556 0.75 GCK (0.52) GCKKCNH2
SCHEMBL2653455 0.75 AR (0.41) GCKALDH1A1KCNH2TSHRHTT
SCHEMBL22510110 0.74 HPGD (0.63) HPGDALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL2653534 0.74 GCK (0.58) GCKKCNH2
SCHEMBL22510117 0.73 ALDH1A1 (0.46) HPGDALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL2653597 0.72 MYC (0.41) GCKKCNH2MYCMAX
SCHEMBL2664533 0.71 ALDH1A1 (0.67) HPGDALDH1A1KDM4EKCNH2TSHR
SCHEMBL1797368 0.70 GCK (0.40) GCKHPGDALDH1A1KDM4ECYP3A4

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
EP-1578745-B1 BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2007-11-14 EP disclosed