SCHEMBL21179339

SCHEMBL21179339

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
CSNK1D P48730 5/20 0.47
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
MAPT P10636 8/20 0.46
NFKB1 P19838 4/20 0.46
NFKB2 Q00653 4/20 0.46
RELA Q04206 4/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46
MPI P34949 1/20 0.46
GHSR Q92847 2/20 0.46
SMN1; SMN2 Q16637 5/20 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
SCHEMBL21186006 0.90 CSNK1D (0.55) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21177800 0.89 MET (0.52) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21186154 0.82 MET (0.56) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL30098848 0.80 NPC1 (0.52) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21186173 0.80 MET (0.51) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21186106 0.80 NPC1 (0.52) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21186182 0.80 DCLK1 (0.55) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21186150 0.80 DCLK1 (0.55) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21186051 0.80 NPC1 (0.51) METCSNK1DRAB9ANPC1KMT2A
SCHEMBL21186134 0.80 MET (0.54) METCSNK1DRAB9ANPC1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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