SCHEMBL21186006

SCHEMBL21186006

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccccc4Cl)cc3s2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.55
MET P08581 1/20 0.53
GHSR Q92847 2/20 0.52
SCD O00767 2/20 0.52
KMT2A Q03164 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 2/20 0.50
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
THRB P10828 1/20 0.50
OPRK1 P41145 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.50
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49

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
SCHEMBL21186154 0.93 MET (0.56) CSNK1DMETSCDKMT2ANPC1
SCHEMBL21186106 0.91 NPC1 (0.52) CSNK1DMETSCDKMT2ANPC1
SCHEMBL30098848 0.91 NPC1 (0.52) CSNK1DMETSCDKMT2ANPC1
SCHEMBL21186182 0.90 DCLK1 (0.55) CSNK1DMETGHSRSCDKMT2A
SCHEMBL21186051 0.90 NPC1 (0.51) CSNK1DMETSCDKMT2ANPC1
SCHEMBL21186150 0.90 DCLK1 (0.55) CSNK1DMETGHSRSCDKMT2A
SCHEMBL21186134 0.90 MET (0.54) CSNK1DMETSCDKMT2ANPC1
SCHEMBL21179339 0.90 MET (0.49) CSNK1DMETGHSRSCDKMT2A
SCHEMBL21186252 0.90 NPC1 (0.58) CSNK1DMETSCDKMT2ANPC1
SCHEMBL21186156 0.89 MAPT (0.59) METSCDKMT2ANPC1RAB9A

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