SCHEMBL2853174

SCHEMBL2853174

CCCCc1ccc(C#Cc2ccc(CNc3cc(C(=O)O)ccc3F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.51
RARB P10826 8/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTPN11 Q06124 1/20 0.45
PTPRO Q16827 1/20 0.45
PLK3 Q9H4B4 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
CTRC Q99895 1/20 0.41

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
SCHEMBL2850975 0.87 ALOX15 (0.43) PLK1HDAC1HDAC8HDAC6PTPN11
SCHEMBL2858458 0.81 RARB (0.57) PLK1RARBHDAC1PTPN11MEN1
SCHEMBL1814690 0.80 PPARA (0.55) PLK1RARBPTPN11PTPROALDH1A1
SCHEMBL2858924 0.80 RARB (0.61) PLK1RARBMEN1ALDH1A1RARA
SCHEMBL1811178 0.79 RARB (0.73) PLK1RARBPTPN11PTPROMEN1
SCHEMBL2851976 0.79 RARB (0.52) PLK1RARBPTPN11PTPROALDH1A1
SCHEMBL2402922 0.78 RARB (0.71) PLK1RARBPTPN11PTPROMEN1
SCHEMBL5598384 0.77 PLK1 (0.54) PLK1RARBPTPN11PTPROPLK3
SCHEMBL13513422 0.77 HDAC8 (0.49) PLK1RARBHDAC1HDAC8HDAC6
SCHEMBL5598480 0.76 PLK1 (0.45) PLK1RARBPTPN11PTPROALDH1A1

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
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP claimed