SCHEMBL21186153

SCHEMBL21186153

COc1ccnc(C(=O)Nc2nc3ccc(C(=O)c4ccccc4Cl)cc3s2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.51
SCD O00767 6/20 0.49
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
PKM P14618 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CSNK1D P48730 1/20 0.48
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 2/20 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
SCHEMBL21186160 0.89 GHSR (0.49) GHSRSCDRAB9ANPC1KMT2A
SCHEMBL21186283 0.88 SCD (0.63) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL21186048 0.85 SCD (0.52) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL21186129 0.84 CSNK1D (0.54) RAB9ANPC1KMT2AMAPTTP53
SCHEMBL21186006 0.83 CSNK1D (0.55) GHSRSCDRAB9ANPC1KMT2A
SCHEMBL21186033 0.83 SCD (0.53) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL21186026 0.83 PIK3CA (0.49) GHSRSCDRAB9ANPC1KMT2A
SCHEMBL21186122 0.82 SCD (0.52) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL23719817 0.81 CSNK1D (0.47) GHSRSCDRAB9ANPC1KMT2A
SCHEMBL23719993 0.81 RAB9A (0.56) GHSRSCDRAB9ANPC1KMT2A

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