SCHEMBL4767530

SCHEMBL4767530

CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.58
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
RORC P51449 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
KIFC1 Q9BW19 1/20 0.42
ADRB3 P13945 1/20 0.42
TOP2A P11388 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2104968 1.00 CENPE (0.58) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2105954 0.94 CENPE (0.61) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2104926 0.92 CENPE (0.56) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2101183 0.91 CENPE (0.59) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2104243 0.90 CENPE (0.56) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2106289 0.89 CENPE (0.53) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL13163041 0.89 CENPE (0.54) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2105004 0.87 CENPE (0.54) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4774113 0.87 CENPE (0.54) CENPEMEN1KMT2ATAS1R3TAS1R1
SCHEMBL3469159 0.86 CENPE (0.51) CENPEMEN1KMT2ATAS1R3TAS1R1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed