SCHEMBL28819508

SCHEMBL28819508

CCCCNC(=O)C(C1=COC(Cc2ccccc2)O1)n1c(-c2cccc(OC)c2OC)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
ASAH1 Q13510 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP2 P08253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL28819594 0.88 TP53 (0.39) HCRTR1HCRTR2SMN1; SMN2LMNATSHR
SCHEMBL3566327 0.84 HCRTR1 (0.43) HCRTR1HCRTR2ASAH1SMN1; SMN2LMNA
SCHEMBL3564261 0.81 MEN1 (0.42) ASAH1SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL3564525 0.80 SMN1; SMN2 (0.40) HCRTR1HCRTR2SMN1; SMN2LMNATSHR
SCHEMBL3566382 0.80 MEN1 (0.41) HCRTR1HCRTR2ASAH1SMN1; SMN2LMNA
SCHEMBL3560978 0.78 HCRTR1 (0.45) HCRTR1HCRTR2SMN1; SMN2LMNATSHR
SCHEMBL29880813 0.77 RORC (0.43) SMN1; SMN2LMNATSHRALDH1A1MEN1
SCHEMBL3571809 0.77 RORC (0.43) SMN1; SMN2LMNATSHRALDH1A1MEN1
SCHEMBL3564893 0.75 SMN1; SMN2 (0.40) SMN1; SMN2LMNATSHRALDH1A1MMP2
SCHEMBL3561749 0.72 MEN1 (0.42) SMN1; SMN2LMNATSHRMMP2MEN1

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-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed