SCHEMBL2361589

SCHEMBL2361589

CCN(C(=O)O)c1cccc(C(=O)c2nn(-c3cnn(CCOCc4ccccc4)c3)ccc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
ADORA2A P29274 1/20 0.33
GRM2 Q14416 1/20 0.33
HTT P42858 3/20 0.32
ALKBH1 Q13686 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL2266728 0.85 POLB (0.45) POLBMEN1KMT2ACYP2C9GAA
SCHEMBL13275155 0.85 POLB (0.44) POLBMEN1KMT2ACYP2C9HSP90AA1
SCHEMBL13274726 0.83 POLB (0.42) POLBMEN1KMT2ACYP2C9GAA
SCHEMBL13274951 0.82 SMN1; SMN2 (0.42) POLBKMT2ACYP2C9GAAALDH1A1
SCHEMBL2268843 0.81 CYP2C9 (0.53) POLBMEN1KMT2ACYP2C9GAA
SCHEMBL2275065 0.79 GAA (0.42) POLBMEN1KMT2ACYP2C9GAA
SCHEMBL2270343 0.78 JAK3 (0.33) MEN1KMT2AEGLN1TP53
SCHEMBL13274578 0.77 GAA (0.44) POLBMEN1KMT2ACYP2C9GAA
SCHEMBL13274806 0.76 L3MBTL1 (0.35) MEN1KMT2ACYP2C9GRM2HTT
SCHEMBL2222125 0.75 POLB (0.55) POLBMEN1KMT2ACYP2C9GAA

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
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed