SCHEMBL933899

SCHEMBL933899

CCC(=O)NCc1ccc(-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.58
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
MAPK1 P28482 2/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
PRKCG P05129 1/20 0.55
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
AKT1 P31749 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
PRKX P51817 1/20 0.55
PRKCD Q05655 1/20 0.55
PRKG2 Q13237 1/20 0.55
DYRK1A Q13627 1/20 0.55
PRKG1 Q13976 1/20 0.55
PKN2 Q16513 1/20 0.55
CDC42BPA Q5VT25 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55

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
SCHEMBL1286082 0.90 GAA (0.62) MAPK1ALDH1A1MAPTGAALMNA
SCHEMBL933924 0.83 LMNA (0.61) POLBALDH1A1MAPTGAALMNA
SCHEMBL933473 0.83 PRMT6 (0.61) ROCK2ROCK1MAPK1RPS6KA5MAP4K4
SCHEMBL10227676 0.83 ROCK2 (0.58) PPIDROCK2ROCK1MAPK1RPS6KA5
SCHEMBL13652538 0.83 LMNA (0.70) ALDH1A1GAAMMP13LMNAMEN1
SCHEMBL23442296 0.81 ALDH1A1 (0.50) POLBALDH1A1HPGDLMNAMEN1
SCHEMBL30259904 0.80 ADORA3 (0.48) POLBALDH1A1HPGDLMNAMEN1
SCHEMBL25517299 0.79 HPGD (0.50) POLBALDH1A1HPGDLMNAMEN1
Pyridine SCHEMBL1566392 0.78 KMT2A (0.55) ROCK2ROCK1MAPK1RPS6KA5MAP4K4
SCHEMBL27799295 0.78 RIPK1 (0.63) PPIDROCK2ROCK1MAPK1RPS6KA5

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-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 CN disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed