SCHEMBL13620082

SCHEMBL13620082

CC(N)(NC(=O)c1cccc2nc(NCc3ccc(Cl)cc3)oc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
KMT2A Q03164 2/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.41
MAPK10 P53779 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTNNB1 P35222 3/20 0.40
TCF7L2 Q9NQB0 3/20 0.40
PTGER4 P35408 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ERAP1 Q9NZ08 2/20 0.38
CD38 P28907 1/20 0.38
ELANE P08246 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
THRB P10828 1/20 0.37
APP P05067 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
SCHEMBL12948785 0.92 DRD2 (0.45) HDAC1KMT2AESR1MAPTMAPK10
SCHEMBL13619317 0.87 ERAP1 (0.39) KMT2AMEN1NR1H4ERAP1SMN1; SMN2
SCHEMBL12585213 0.81 ELANE (0.48) HDAC1KMT2AESR1MAPTMAPK10
SCHEMBL12585207 0.81 PTGER4 (0.54) PTGER4
SCHEMBL12583794 0.80 ELANE (0.49) HDAC1KMT2AESR1MAPTMAPK10
SCHEMBL12948674 0.78 DRD2 (0.41) KMT2AMAPTMEN1ERAP1ALDH1A1
SCHEMBL13619313 0.76 KCNH2 (0.39) HDAC1KMT2AMAPTMEN1NR1H4
SCHEMBL12583793 0.75 DRD2 (0.47) HDAC1KMT2AESR1MAPTMAPK10
SCHEMBL12583800 0.72 DRD2 (0.47) HDAC1KMT2AESR1MAPTMAPK10
SCHEMBL12583797 0.72 DRD2 (0.47) HDAC1KMT2AESR1MAPTMAPK10

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