SCHEMBL2655249

SCHEMBL2655249

CCCC(=O)Oc1csc(NC(=O)c2cccn2Cc2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
CNR1 P21554 2/20 0.50
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN3A Q9NY46 4/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL2655012 0.89 CNR2 (0.53) CNR2CNR1CA12CA1CA2
SCHEMBL1606151 0.80 MAPT (0.61) CNR2CNR1RAB9ANPC1PKM
SCHEMBL1606140 0.77 CNR2 (0.53) CNR2CNR1CA12CA1CA2
SCHEMBL24434682 0.73 SMN1; SMN2 (0.46) CNR2CNR1RAB9ANPC1HPGD
SCHEMBL24434729 0.73 NPC1 (0.62) CNR2CNR1RAB9ANPC1HPGD
SCHEMBL1607002 0.73 MEN1 (0.64) CNR2CNR1CA12CA1CA2
SCHEMBL31466096 0.72 CNR2 (0.46) CNR2CNR1CA12CA1CA2
SCHEMBL24435127 0.72 CNR2 (0.46) CNR2CNR1CA12CA1CA2
SCHEMBL1607698 0.72 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL24434622 0.71 SMN1; SMN2 (0.43) CNR2CNR1RAB9ANPC1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 WO disclosed