SCHEMBL21186159

SCHEMBL21186159

COc1ccnc(C(=O)Nc2nc3ccc(Sc4ccccc4)cc3s2)c1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.49
SCD O00767 5/20 0.48
MTOR P42345 1/20 0.47
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
HTT P42858 3/20 0.46
OPRK1 P41145 2/20 0.46
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 2/20 0.45
PAX8 Q06710 1/20 0.45
MET P08581 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
SCHEMBL21186025 0.88 SCD (0.50) PIK3CASCDMTORKMT2AMAPT
SCHEMBL21186174 0.86 SCD (0.61) PIK3CASCDKMT2AMAPTMEN1
SCHEMBL21186049 0.86 POLB (0.56) PIK3CASCDKMT2AMAPTMEN1
SCHEMBL21186409 0.85 MET (0.49) PIK3CASCDKMT2AMAPTMEN1
SCHEMBL21186173 0.81 MET (0.51) SCDKMT2AMAPTMEN1RAB9A
SCHEMBL21186160 0.80 GHSR (0.49) PIK3CASCDKMT2AMAPTMEN1
SCHEMBL21186251 0.80 NPC1 (0.57) SCDKMT2AMAPTMEN1ALDH1A1
SCHEMBL21186132 0.79 DCLK1 (0.51) SCDKMT2AMAPTMEN1RAB9A
SCHEMBL23720072 0.79 PIK3CA (0.57) PIK3CASCDKMT2AMAPTMEN1
SCHEMBL31683906 0.79 PIK3CA (0.57) PIK3CASCDKMT2AMAPTMEN1

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