SCHEMBL19286229

SCHEMBL19286229

C[C@@H](Nc1c(N[C@H]2CCCC[C@@H]2N(C)C)c(=O)c1=O)[C@@H]1CCCC1P(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.37
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
PIM1 P11309 1/20 0.31
PLK1 P53350 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31
AURKB Q96GD4 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
IKZF2 Q9UKS7 1/20 0.31

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
SCHEMBL19286227 0.86 KAT2B (0.35) KAT2BDAPK3ROCK2CHEK2PIM1
SCHEMBL19286259 0.83 DAPK3 (0.30) DAPK3ROCK2CHEK2PIM1PLK1
SCHEMBL19286296 0.78 CCR6 (0.32) KAT2BDAPK3ROCK2CHEK2PIM1
SCHEMBL19286268 0.77 KAT2B (0.36) KAT2BDAPK3ROCK2CHEK2PIM1
SCHEMBL19286179 0.76 ALDH1A1 (0.34) KAT2B
SCHEMBL19286273 0.76 ALDH1A1 (0.34) KAT2B
SCHEMBL19286294 0.76 CA1 (0.33) DAPK3ROCK2CHEK2PIM1PLK1
SCHEMBL19286293 0.75
SCHEMBL17470133 0.74 KAT2B (0.36) KAT2BIKZF2
SCHEMBL19286260 0.74 PLK1 (0.32) DAPK3ROCK2CHEK2PIM1PLK1

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
US-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed