SCHEMBL28297592

SCHEMBL28297592

CCCCC(N=[Ta])C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20633922 0.76 CA2 (0.37) DNM1CA2MAPK1CA1
SCHEMBL18812607 0.66 FDPS (0.41) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL4654399 0.66 DNM1 (0.41) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL5315490 0.65 CA2 (0.35) DNM1CA2MAPK1CA1
SCHEMBL19091154 0.65 CA2 (0.39) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL11496837 0.64 CA2 (0.42) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL5932710 0.64
SCHEMBL597711 0.64 DNM1 (0.39) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL3280238 0.63 CA2 (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL276709 0.62 TSHR (0.38)

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-109689666-A Group V metal compound, method for preparing same, film deposition precursor composition comprising same, and film deposition method using same UP化学株式会社 2019-04-26 CN disclosed