SCHEMBL2196089

SCHEMBL2196089

C[C@@H](c1ccc(C(O)C(C)(C)N(C)Cc2ccccc2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
RIPK1 Q13546 2/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL2199716 0.84 AOC3 (0.41) AOC3MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2202724 0.81 ALOX5 (0.43) RIPK1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4264543 0.80 MEN1 (0.44) AOC3MEN1KMT2AKDM4EHPGD
SCHEMBL2197914 0.78 MEN1 (0.41) RIPK1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2239284 0.75 PPARA (0.41) RIPK1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2107176 0.75 PPARA (0.41) RIPK1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2197629 0.74 KDM4E (0.43) AOC3RIPK1MEN1KMT2AKDM4E
SCHEMBL2197829 0.74 MTOR (0.31) AOC3ALOX5
SCHEMBL2195384 0.74 RIPK1 (0.37) AOC3RIPK1MEN1KMT2AKDM4E
SCHEMBL2196410 0.74 RIPK1 (0.37) AOC3RIPK1MEN1KMT2AKDM4E

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-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed