SCHEMBL29245697

SCHEMBL29245697

COC(=O)CNc1ccnc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.43
LOX P28300 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR1 P21554 1/20 0.40
FFAR1 O14842 1/20 0.39
MET P08581 1/20 0.39
ACACB O00763 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
GRK2 P25098 1/20 0.38
GRK5 P34947 1/20 0.38
GRK3 P35626 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL17513206 0.84 AR (0.47) MEN1KMT2AHDAC6ALDH1A1POLB
SCHEMBL30366724 0.84 LOX (0.43) SORT1LOXLOXL2KCNK3KCNK9
SCHEMBL30174182 0.80 SORT1 (0.48) SORT1LOXLOXL2KCNK3KCNK9
SCHEMBL25528970 0.80 SORT1 (0.48) SORT1LOXLOXL2KCNK3KCNK9
SCHEMBL19378075 0.79 MAPK8 (0.43) LOXLOXL2MEN1KMT2AALDH1A1
SCHEMBL6218602 0.78 LOX (0.49) SORT1LOXLOXL2KCNK3KCNK9
SCHEMBL7436859 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1POLBGRK2
SCHEMBL6640610 0.76 KMT2A (0.57) MEN1KMT2AALDH1A1POLBPABPC1
SCHEMBL24630258 0.76 SORT1 (0.47) SORT1LOXLOXL2KCNK3KCNK9
SCHEMBL29769087 0.76 SORT1 (0.47) SORT1LOXLOXL2KCNK3KCNK9

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-118159540-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-06-07 CN disclosed