SCHEMBL28199372

SCHEMBL28199372

CCOC(=O)c1c(O)ccn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA7 P43166 6/20 0.50
CA9 Q16790 6/20 0.50
CA14 Q9ULX7 6/20 0.50
MAPT P10636 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HSD17B2 P37059 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL9497198 0.84 SMN1; SMN2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL16236650 0.81 MAPT (0.45) CA12CA1CA2CA7CA9
SCHEMBL22380375 0.81 BAZ2B (0.49) CA12CA1CA2CA7CA9
SCHEMBL4511766 0.81 LMNA (0.51) CA12CA1CA2CA7CA9
SCHEMBL9826739 0.79 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL7189434 0.78 LMNA (0.45) CA12CA1CA2CA7CA9
SCHEMBL9825664 0.76 MAPT (0.63) CA12CA1CA2CA7CA9
SCHEMBL31540154 0.75 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL31540157 0.75 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL25240040 0.74 LMNA (0.44) MAPTALDH1A1GAALMNAMAPK1

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-107735400-A Cyclic sulfamoyl arylamide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2018-02-23 CN disclosed