SCHEMBL21186154

SCHEMBL21186154

COc1ccccc1Oc1ccc2nc(NC(=O)c3nccc(OC)c3O)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.56
SCD O00767 8/20 0.55
NPC1 O15118 9/20 0.55
RAB9A P51151 8/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
CSNK1D P48730 2/20 0.52
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
OPRK1 P41145 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KLF5 Q13887 1/20 0.50

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
SCHEMBL23720018 0.94 CSNK1D (0.56) METSCDNPC1RAB9AKMT2A
SCHEMBL31683897 0.94 CSNK1D (0.56) METSCDNPC1RAB9AKMT2A
SCHEMBL21186134 0.94 MET (0.54) METSCDNPC1RAB9AKMT2A
SCHEMBL31683911 0.93 MET (0.54) METSCDNPC1RAB9AKMT2A
SCHEMBL23719990 0.93 MET (0.54) METSCDNPC1RAB9AKMT2A
SCHEMBL21186252 0.93 NPC1 (0.58) METSCDNPC1RAB9AKMT2A
SCHEMBL21186006 0.93 CSNK1D (0.55) METSCDNPC1RAB9AKMT2A
SCHEMBL21186156 0.93 MAPT (0.59) METSCDNPC1RAB9AKMT2A
SCHEMBL23720017 0.92 PDE4B (0.54) METSCDNPC1RAB9AKMT2A
SCHEMBL23719995 0.92 CSNK1D (0.56) METSCDNPC1RAB9AKMT2A

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