SCHEMBL21186252

SCHEMBL21186252

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccccc4F)cc3s2)c1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
MET P08581 1/20 0.53
KMT2A Q03164 7/20 0.52
SCD O00767 7/20 0.52
MEN1 O00255 5/20 0.52
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 2/20 0.49
CSNK1D P48730 2/20 0.49
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
OPRK1 P41145 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21186154 0.93 MET (0.56) NPC1RAB9AMETKMT2ASCD
SCHEMBL21186167 0.92 NPC1 (0.54) NPC1RAB9AMETKMT2ASCD
SCHEMBL21186183 0.92 NPC1 (0.54) NPC1RAB9AMETKMT2ASCD
SCHEMBL21186134 0.90 MET (0.54) NPC1RAB9AMETKMT2ASCD
SCHEMBL21186101 0.90 NPC1 (0.60) NPC1RAB9AMETKMT2ASCD
SCHEMBL21186006 0.90 CSNK1D (0.55) NPC1RAB9AMETKMT2ASCD
SCHEMBL21186156 0.89 MAPT (0.59) NPC1RAB9AMETKMT2ASCD
SCHEMBL23720017 0.89 PDE4B (0.54) NPC1RAB9AMETKMT2ASCD
SCHEMBL23719995 0.89 CSNK1D (0.56) NPC1RAB9AMETKMT2ASCD
SCHEMBL21186181 0.89 MET (0.51) NPC1RAB9AMETKMT2ASCD

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