SCHEMBL28147113

SCHEMBL28147113

COc1csc(C(=O)c2cc(OC)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CA2 P00918 1/20 0.38
DAO P14920 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL18302448 0.85 MAPT (0.52) MEN1KMT2ARAB9ANPC1DAO
SCHEMBL4703482 0.85 DAO (0.55) MEN1KMT2ACA2DAOMAPT
SCHEMBL25399545 0.83 KMT2A (0.54) MEN1KMT2ACA2MAPTMAPK1
SCHEMBL3055932 0.83 MEN1 (0.37) MEN1KMT2ARAB9ANPC1CA2
SCHEMBL25399448 0.83 OPRD1 (0.45) MEN1KMT2ARAB9ACA2DAO
SCHEMBL28148274 0.80 KMT2A (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL24579380 0.80 ALDH1A1 (0.38) MEN1KMT2ARAB9ACA2DAO
Hydrochloric Acid SCHEMBL30515341 0.77 MEN1 (0.37) MEN1KMT2ARAB9ANPC1CA2
SCHEMBL8627970 0.77 HPGD (0.47) MEN1KMT2ARAB9ANPC1CA2
SCHEMBL8632472 0.75 MAPT (0.39) MEN1KMT2ARAB9ANPC1CA2

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
CN-106999479-A It can be used as the heteroaryl compound of SUMO activating enzyme inhibitors 米伦纽姆医药公司 2017-08-01 CN disclosed