SCHEMBL29133468

SCHEMBL29133468

CC(=O)Nc1ccc(Nc2ncccc2C(N)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.74
MAPT P10636 7/20 0.74
SMN1; SMN2 Q16637 6/20 0.74
NPC1 O15118 5/20 0.74
AHR P35869 1/20 0.74
SIRT2 Q8IXJ6 1/20 0.61
LMNA P02545 1/20 0.58
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 7/20 0.57
GAA P10253 2/20 0.57
MAPK8 P45983 1/20 0.54
DHODH Q02127 3/20 0.54
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KCNH2 Q12809 1/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL28824955 0.85 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898269 0.85 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL479805 0.83 DHODH (0.76) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL28824933 0.82 RAB9A (0.76) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898323 0.82 RAB9A (0.76) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29421217 0.82 RAB9A (0.73) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898256 0.82 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL28949513 0.82 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29686385 0.81 RAB9A (0.71) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL23423252 0.79 MAPT (0.68) RAB9AMAPTSMN1; SMN2NPC1AHR

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-114671861-B Wogonin derivative and preparation method and application thereof 安徽医科大学 2023-11-24 CN disclosed