SCHEMBL2104568

SCHEMBL2104568

CC(C)Oc1ccc(C(=O)N[C@@H](CC(=O)O)C(C)c2ccc(NC(=O)c3ccccc3)cc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.53
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RORC P51449 3/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44

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
SCHEMBL2103796 0.83 CENPE (0.62) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL2104572 0.81 CENPE (0.62) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL2104566 0.80 CENPE (0.61) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL2617141 0.77 CENPE (0.86) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL4435289 0.77 HDAC1 (0.67) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL2105954 0.77 CENPE (0.61) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL4720085 0.75 CENPE (0.54) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL2101183 0.75 CENPE (0.59) CENPEHDAC1HDAC8HDAC6RORC
SCHEMBL17660211 0.72 MAPT (0.65) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2104733 0.72 CENPE (0.56) CENPEHDAC1HDAC8HDAC6RORC

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
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed