SCHEMBL30930477

SCHEMBL30930477

COc1cc(NC(N)=O)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
CNR1 P21554 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NR3C2 P08235 3/20 0.45
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
ATR Q13535 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
NNMT P40261 2/20 0.42
KIF11 P52732 1/20 0.42
RPS6KA2 Q15349 1/20 0.42

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
SCHEMBL20310370 1.00 SORT1 (0.51) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL15880285 0.85 SORT1 (0.55) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL13036336 0.85 SORT1 (0.52) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL19151039 0.81 KMT2A (0.53) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL19308468 0.81 KCNB1 (0.56) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL16377908 0.81 SORT1 (0.52) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL9952591 0.81 SORT1 (0.49) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL30174182 0.80 SORT1 (0.48) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL25528970 0.80 SORT1 (0.48) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL14920872 0.80 SORT1 (0.48) SORT1KCNK3KCNK9CNR1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 CN claimed
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 CN disclosed