SCHEMBL21186409

SCHEMBL21186409

COc1ccnc(C(=O)Nc2nc3ccc(Cc4ccccc4)cc3s2)c1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
SCD O00767 7/20 0.49
PIK3CA P42336 3/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.46
CSNK1D P48730 1/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRK1 P41145 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP3 P42574 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
SCHEMBL21186152 0.88 SCD (0.52) METSCDPIK3CARAB9ANPC1
SCHEMBL21186161 0.86 MET (0.46) METSCDPIK3CARAB9ANPC1
SCHEMBL21186174 0.86 SCD (0.61) SCDPIK3CARAB9ANPC1MAPT
SCHEMBL21186159 0.85 PIK3CA (0.49) METSCDPIK3CARAB9ANPC1
SCHEMBL21186049 0.85 POLB (0.56) METSCDPIK3CARAB9ANPC1
SCHEMBL21186160 0.81 GHSR (0.49) SCDPIK3CARAB9ANPC1MAPT
SCHEMBL21186041 0.81 MET (0.49) METSCDRAB9ANPC1MAPT
SCHEMBL21186173 0.80 MET (0.51) METSCDRAB9ANPC1MAPT
SCHEMBL21186251 0.79 NPC1 (0.57) METSCDRAB9ANPC1MAPT
SCHEMBL21186010 0.78 MAPT (0.52) SCDPIK3CARAB9ANPC1MAPT

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed