SCHEMBL21186134

SCHEMBL21186134

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccccc4C)cc3s2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.54
SCD O00767 8/20 0.52
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
CSNK1D P48730 2/20 0.50
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.48
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
RECQL P46063 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
OPRK1 P41145 1/20 0.48

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 0.94 MET (0.56) METSCDNPC1RAB9AKMT2A
SCHEMBL21186006 0.90 CSNK1D (0.55) METSCDNPC1RAB9AKMT2A
SCHEMBL21186252 0.90 NPC1 (0.58) METSCDNPC1RAB9AKMT2A
SCHEMBL21186156 0.90 MAPT (0.59) METSCDNPC1RAB9AKMT2A
SCHEMBL23720018 0.90 CSNK1D (0.56) METSCDNPC1RAB9AKMT2A
SCHEMBL31683897 0.90 CSNK1D (0.56) METSCDNPC1RAB9AKMT2A
SCHEMBL31683911 0.89 MET (0.54) METSCDNPC1RAB9AKMT2A
SCHEMBL23719990 0.89 MET (0.54) METSCDNPC1RAB9AKMT2A
SCHEMBL21186130 0.88 NPC1 (0.52) METSCDNPC1RAB9AKMT2A
SCHEMBL23720017 0.88 PDE4B (0.54) 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