SCHEMBL31087256

SCHEMBL31087256

Cc1ncc(-n2ccc3ccccc32)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 5/20 0.40
BIRC5 O15392 1/20 0.40
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39

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
SCHEMBL10150896 0.73 SLC6A2 (0.37) MAPTKMT2A
SCHEMBL29975548 0.71 CDC7 (0.45) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL28687782 0.69 ROCK1 (0.50) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL27097236 0.68 MAPT (0.77) CDC7CDK2ROCK1MAPT
SCHEMBL927134 0.68 MAOB (0.52) CDC7CDK2ROCK1MAOBMAOA
SCHEMBL13483670 0.67 BIRC5 (0.50) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL11229668 0.67 BIRC5 (0.46) CDC7CDK2ROCK1MAOBMAOA
SCHEMBL13052919 0.67 BIRC5 (0.59) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL29388240 0.66 RPS6KA5 (0.60) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL2590108 0.66 RPS6KA5 (0.60) CDC7CDK2ROCK1MAPTBIRC5

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-118459438-A Synthesis method of iodine-catalyzed N-acyl-2-hydroxy-indol-3-one compound 延安大学 2024-08-09 CN disclosed