SCHEMBL28793921

SCHEMBL28793921

C[SnH](C)c1ncc(C#N)c2c1CC(C)(C)CC2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LIMK1 P53667 1/20 0.30

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
SCHEMBL1338574 0.79 LIMK1 (0.40) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL1338496 0.77 MAPK1 (0.32) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL1338489 0.77 MAPK1 (0.34) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL1338519 0.77 CHUK (0.32) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL1338345 0.75 MAPK1 (0.33) MAPK1KDM4EALDH1A1
SCHEMBL1338549 0.69 MAPK1 (0.39) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL22890488 0.59 KDM4E (0.42) MAPK1KDM4EALDH1A1
SCHEMBL2826099 0.58 ALDH1A1 (0.48) MAPK1KDM4EALDH1A1
SCHEMBL25020899 0.58 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL13172069 0.56 KDM4E (0.42) MAPK1KDM4EALDH1A1

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-102282144-A Oxadiazole derivatives as sphingosine-1-phosphate 1 receptor agonists — 2011-12-14 — — CN disclosed
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