SCHEMBL28613482

SCHEMBL28613482

CCOc1c(Br)cc(OCOC)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
THRB P10828 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKDC P78527 1/20 0.39
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ERN1 O75460 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
TUBB1 Q9H4B7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL30664028 1.00 LMNA (0.46) LMNATHRBALDH1A1CYP1A2CYP2C19
SCHEMBL3152062 0.92 PRKDC (0.42) LMNATHRBALDH1A1CYP1A2CYP2C19
SCHEMBL28618361 0.82 PRKDC (0.36) LMNAALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL8198276 0.80 ERN1 (0.46) LMNATHRBALDH1A1CYP1A2CYP2C19
SCHEMBL28608013 0.79 PRKDC (0.41) LMNAALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL28610814 0.79 ERN1 (0.50) LMNAPRKDCERN1MAPT
SCHEMBL28624223 0.79 PRKDC (0.41) LMNAALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL19381723 0.78 ERN1 (0.44) LMNAALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL7815397 0.78 LMNA (0.54) LMNATHRBALDH1A1CYP1A2CYP2C19
SCHEMBL27261303 0.76 PRKDC (0.43) LMNAALDH1A1PRKDCERN1MAPK1

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-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 CN disclosed