SCHEMBL13619447

SCHEMBL13619447

COC(=O)c1ccc([C@H](C)NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.68
TP53 P04637 7/20 0.66
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL12585311 0.91 TP53 (0.69) MAPTTP53MEN1ALDH1A1HPGD
SCHEMBL12583932 0.85 MAPT (0.64) MAPTTP53TSHRL3MBTL1MEN1
SCHEMBL12900450 0.85 F10 (0.54) MAPTTP53KMT2A
SCHEMBL23674599 0.83 MAPT (0.82) MAPTTP53TSHRL3MBTL1MEN1
SCHEMBL13619299 0.83 MAPT (0.68) MAPTTP53TSHRALDH1A1THRB
SCHEMBL12948790 0.81 P2RX3 (0.46) MAPT
SCHEMBL12584141 0.79 PTGER4 (0.48) MAPTTP53THRB
SCHEMBL13619519 0.79 PTGER4 (0.48) TP53ALDH1A1
SCHEMBL12584692 0.77 RAB9A (0.58) MAPTKMT2ANPSR1
SCHEMBL12948788 0.77 PTGER4 (0.48) MAPTPOLB

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