SCHEMBL21687129

SCHEMBL21687129

COc1ccc2nc(-n3sc4ccc(F)cc4c3=O)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 7/20 0.63
MIF P14174 5/20 0.63
PMM2 O15305 5/20 0.63
APOBEC3G Q9HC16 4/20 0.63
PHOSPHO1 Q8TCT1 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
G6PD P11413 2/20 0.51
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
APP P05067 1/20 0.49
TLR9 Q9NR96 1/20 0.49
KAT2A Q92830 1/20 0.48
KAT2B Q92831 1/20 0.48
SLC11A2 P49281 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
SCD O00767 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL23845935 0.87 SCN4A (0.50) MPIMIFPMM2APOBEC3GPHOSPHO1
SCHEMBL21687124 0.85 KAT2A (0.68) MPIMIFPMM2APOBEC3GPHOSPHO1
SCHEMBL2535768 0.78 MPI (1.00) MPIMIFPMM2APOBEC3GPHOSPHO1
SCHEMBL12253283 0.75 MPI (0.70) MPIMIFPMM2APOBEC3GPHOSPHO1
SCHEMBL22092498 0.75 MIF (1.00) MPIMIFPMM2APOBEC3GPHOSPHO1
SCHEMBL21687126 0.73 KAT2A (0.64) MPIPMM2APOBEC3GPHOSPHO1NPC1
SCHEMBL21687128 0.73 CSNK1D (0.47) MIFNPC1RAB9AMAPTTSHR
SCHEMBL1897445 0.69 MPI (1.00) MPIMIFPMM2APOBEC3GPHOSPHO1
SCHEMBL29522746 0.69 MPI (1.00) MPIMIFPMM2APOBEC3GPHOSPHO1
SCHEMBL5916793 0.68 METAP2 (0.57) NPC1RAB9AMAPTTSHRSLC11A2

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-2020020099-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海星叶医药科技有限公司 2020-01-30 WO disclosed