SCHEMBL29572307

SCHEMBL29572307

COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.65
MEN1 O00255 1/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
KCNK3 O14649 3/20 0.62
KCNK9 Q9NPC2 2/20 0.62
MAPT P10636 3/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
P2RX1 P51575 1/20 0.59
LMNA P02545 1/20 0.59
KDR P35968 1/20 0.59
KCNQ3 O43525 2/20 0.58
KCNQ2 O43526 2/20 0.58
KCNE1 P15382 2/20 0.58
KCNQ1 P51787 2/20 0.58
KCNQ5 Q9NR82 1/20 0.58

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
SCHEMBL113971 0.82 KCNK9 (0.66) SORT1MEN1HTTRAB9AKMT2A
SCHEMBL39874 0.81 KCNQ3 (0.70) MEN1HTTRAB9AKMT2AKCNK3
SCHEMBL27463945 0.81 KCNK3 (0.66) MEN1HTTRAB9AKMT2AKCNK3
SCHEMBL29923785 0.81 HDAC4 (0.60) SORT1KCNK3KCNK9MAPTKDM4E
SCHEMBL23540034 0.80 MAPT (0.62) SORT1MEN1HTTKMT2AKCNK3
SCHEMBL15901600 0.80 SORT1 (0.78) SORT1HDAC4HDAC6TRPV1
SCHEMBL4251258 0.80 HDAC4 (0.59) SORT1MEN1HTTRAB9AKMT2A
SCHEMBL15902246 0.80 SORT1 (0.78) SORT1MAPTKDRHDAC4HDAC6
SCHEMBL15903600 0.79 SORT1 (1.00) SORT1HDAC4HDAC6
SCHEMBL15903601 0.79 SORT1 (0.91) SORT1HDAC4HDAC6

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-114437062-B Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2024-05-17 CN disclosed
CN-114437062-A Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2022-05-06 CN disclosed