SCHEMBL21177804

SCHEMBL21177804

COc1cccnc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
POLB P06746 2/20 0.66
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
SCD O00767 8/20 0.60
KMT2A Q03164 7/20 0.57
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MEN1 O00255 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 1/20 0.55
OPRK1 P41145 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 1/20 0.54
CSNK1D P48730 1/20 0.54
MET P08581 1/20 0.54

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
SCHEMBL21186027 0.93 NPC1 (0.62) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21186156 0.89 MAPT (0.59) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21186001 0.87 MAPT (0.67) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21186049 0.86 POLB (0.56) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21186057 0.85 HCRTR1 (0.56) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21177703 0.83 MAPT (0.53) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21186154 0.83 MET (0.56) MAPTPOLBHTTSCDKMT2A
SCHEMBL21186101 0.82 NPC1 (0.60) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21186273 0.81 MAPT (0.57) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL21186130 0.81 NPC1 (0.52) MAPTPOLBKDM4ELMNAHPGD

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