SCHEMBL28627797

SCHEMBL28627797

COC(=O)c1nsc(-c2ccc(Cl)cc2)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
PKM P14618 3/20 0.63
ALDH1A1 P00352 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
TP53 P04637 1/20 0.52
MDM2 Q00987 1/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RCE1 Q9Y256 1/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC6A3 Q01959 4/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL28623297 0.86 IKBKB (0.47) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL28623302 0.82 ALDH1A1 (0.45) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL9586961 0.77 KDM4E (1.00) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL10999906 0.74 MAPT (0.55) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL2466877 0.73 KDM4E (0.54) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL495789 0.72 KDM4E (0.72) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL1918075 0.72 KDM4E (0.53) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL30481035 0.72 KDM4E (0.53) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL2464043 0.71 KDM4E (0.56) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1
SCHEMBL1917389 0.71 KDM4E (0.52) KDM4ESMN1; SMN2PKMALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108744-A Isothiazolopyrimidinone compounds, pharmaceutical compositions containing the same and uses thereof 四川科伦博泰生物医药股份有限公司 2024-05-31 CN disclosed
CN-113087724-B Isothiazolopyrimidinone compounds, pharmaceutical compositions containing the same and uses thereof 四川科伦博泰生物医药股份有限公司 2024-01-19 CN disclosed
CN-113087724-A Isothiazolopyrimidinones, pharmaceutical compositions containing the same and uses thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 CN disclosed