SCHEMBL28113547

SCHEMBL28113547

COc1cc(OC(C)=O)c(C(=O)Nc2nccs2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 3/20 0.63
KCNMA1 Q12791 1/20 0.63
TSHR P16473 1/20 0.62
AGER Q15109 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 3/20 0.60
MAPT P10636 3/20 0.58
BRD4 O60885 1/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 2/20 0.53
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
LMNA P02545 2/20 0.51
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL714175 0.80 MAPK1 (0.73) RAB9ANPC1TSHRSMN1; SMN2MAPK1
SCHEMBL12443375 0.78 RAB9A (1.00) RAB9ANPC1KCNMA1TSHRAGER
SCHEMBL419203 0.76 MAPK1 (0.76) RAB9ANPC1KCNMA1TSHRSMN1; SMN2
SCHEMBL16607160 0.76 AGER (1.00) RAB9ANPC1KCNMA1TSHRAGER
SCHEMBL24934051 0.76 RAB9A (0.72) RAB9ANPC1KCNMA1TSHRAGER
SCHEMBL16073069 0.76 RAB9A (0.72) RAB9ANPC1KCNMA1TSHRAGER
SCHEMBL4288699 0.76 AGER (0.72) RAB9ANPC1KCNMA1TSHRAGER
Bromide SCHEMBL27908055 0.75 MAPK1 (0.74) RAB9ANPC1KCNMA1TSHRSMN1; SMN2
SCHEMBL18825301 0.75 RAB9A (0.71) RAB9ANPC1KCNMA1TSHRAGER
SCHEMBL4286251 0.75 RAB9A (0.71) RAB9ANPC1KCNMA1TSHRAGER

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316979-B A kind of preparation method of acotiamide hydrochloride hydrate 山东罗欣药业集团股份有限公司 2018-11-27 CN claimed
CN-106316979-A Acotiamide hydrochloride preparation method 山东罗欣药业集团股份有限公司 2017-01-11 CN claimed
CN-106316979-B A kind of preparation method of acotiamide hydrochloride hydrate 山东罗欣药业集团股份有限公司 2018-11-27 CN disclosed
CN-106316979-A Acotiamide hydrochloride preparation method 山东罗欣药业集团股份有限公司 2017-01-11 CN disclosed