SCHEMBL13619313

SCHEMBL13619313

CC(N)(NC(=O)c1cc(Cl)cc2nc(Nc3ccc(Cl)cc3)oc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SERPINE1 P05121 1/20 0.36
CSNK2A1 P68400 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL13619261 0.91 DHODH (0.39) POLBMEN1KMT2AHDAC6HDAC3
SCHEMBL13619317 0.89 ERAP1 (0.39) POLBMEN1KMT2ANR1H4SMN1; SMN2
SCHEMBL12948674 0.80 DRD2 (0.41) MEN1GAAKMT2ANPC1RAB9A
SCHEMBL12585203 0.80 KCNH2 (0.40) KCNH2POLBMEN1GAAKMT2A
SCHEMBL12585200 0.80 PTGER4 (0.51) HDAC6HDAC3HDAC1HDAC8
SCHEMBL12583782 0.79 KCNH2 (0.55) KCNH2POLBMEN1GAAKMT2A
SCHEMBL13620082 0.76 HDAC1 (0.43) MEN1KMT2AHDAC6HDAC1NR1H4
SCHEMBL12583785 0.71 HDAC3 (0.44) MEN1KMT2AHDAC6HDAC3HDAC1
SCHEMBL12583788 0.71 MEN1 (0.39) MEN1GAAKMT2AHDAC6HDAC3
SCHEMBL12583780 0.70 HSD17B10 (0.46) MEN1GAAKMT2ASMN1; SMN2NPC1

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-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed