SCHEMBL21177800

SCHEMBL21177800

COc1ccnc(C(=S)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.52
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
APOBEC3G Q9HC16 2/20 0.49
MPI P34949 1/20 0.49
SCD O00767 3/20 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
SCHEMBL21179339 0.89 MET (0.49) METMAPTHPGDLMNAHTT
SCHEMBL21186156 0.89 MAPT (0.59) METMAPTHPGDLMNAHTT
SCHEMBL21186114 0.81 NPC1 (0.52) METMAPTHPGDLMNAHTT
SCHEMBL21186130 0.81 NPC1 (0.52) METMAPTHPGDLMNAHTT
SCHEMBL21186154 0.81 MET (0.56) METMAPTHTTPOLBNPC1
SCHEMBL21186101 0.80 NPC1 (0.60) METMAPTHPGDLMNAHTT
SCHEMBL21186175 0.80 DCLK1 (0.56) METMAPTHPGDLMNAHTT
SCHEMBL21186256 0.80 SCD (0.53) METMAPTHPGDLMNAHTT
SCHEMBL21186043 0.80 SCD (0.59) METMAPTHPGDLMNAHTT
SCHEMBL21186104 0.80 DCLK1 (0.54) METMAPTHPGDLMNAHTT

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