SCHEMBL21186152

SCHEMBL21186152

COc1ccnc(C(=O)Nc2nc3ccc(Cc4ccccc4)cc3s2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.52
MET P08581 1/20 0.51
PIK3CA P42336 1/20 0.49
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
POLB P06746 1/20 0.48
CSNK1D P48730 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP3 P42574 1/20 0.46

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
SCHEMBL21186129 0.89 CSNK1D (0.54) RAB9ANPC1MAPTTP53POLB
SCHEMBL21186409 0.88 MET (0.49) SCDMETPIK3CARAB9ANPC1
SCHEMBL21186392 0.87 SCD (0.67) SCDMETPIK3CARAB9ANPC1
SCHEMBL21186067 0.86 SCD (0.65) SCDMETRAB9AMAPTHTT
SCHEMBL21186112 0.85 SCD (0.56) SCDMETPIK3CARAB9ANPC1
SCHEMBL21186156 0.84 MAPT (0.59) SCDMETRAB9ANPC1MAPT
SCHEMBL21186283 0.84 SCD (0.63) SCDRAB9ANPC1MAPTTP53
SCHEMBL21186025 0.84 SCD (0.50) SCDMETPIK3CARAB9ANPC1
SCHEMBL21186165 0.83 NPC1 (0.64) SCDRAB9ANPC1MAPTTP53
SCHEMBL21186010 0.82 MAPT (0.52) SCDPIK3CARAB9ANPC1MAPT

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