SCHEMBL2104572

SCHEMBL2104572

CC(C)Oc1ccc(C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccccc3)cc2)C(C)C(=O)O)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.62
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CCR5 P51681 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
TOP2A P11388 1/20 0.44
RORC P51449 1/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 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
SCHEMBL2617141 0.85 CENPE (0.86) CENPEHDAC1HDAC8HDAC6MEN1
SCHEMBL2103796 0.85 CENPE (0.62) CENPEHDAC1HDAC8HDAC6MEN1
SCHEMBL2105954 0.84 CENPE (0.61) CENPEHDAC1HDAC8HDAC6MEN1
SCHEMBL2104566 0.83 CENPE (0.61) CENPEHDAC1HDAC8HDAC6MEN1
SCHEMBL2101183 0.82 CENPE (0.59) CENPEHDAC1HDAC8HDAC6MEN1
SCHEMBL2104568 0.81 CENPE (0.53) CENPEHDAC1HDAC8HDAC6MEN1
SCHEMBL4720085 0.80 CENPE (0.54) CENPEHDAC1HDAC8HDAC6MEN1
SCHEMBL2617148 0.79 CENPE (0.81) CENPEMEN1KMT2ATOP2ARORC
SCHEMBL2104968 0.78 CENPE (0.58) CENPEMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4767530 0.78 CENPE (0.58) CENPEMEN1KMT2ASMN1; 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
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed