SCHEMBL4720774

SCHEMBL4720774

CC(C)Oc1ccc(C(=O)NNC(=O)N(C)Cc2ccc(Br)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.47
KIFC1 Q9BW19 1/20 0.42
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
ROCK2 O75116 2/20 0.40
SMPD1 P17405 1/20 0.40
CSNK2A1 P68400 2/20 0.40
RORC P51449 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
WDR5 P61964 1/20 0.37

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
SCHEMBL4721149 0.88 CENPE (0.55) CENPEKIFC1TAS1R3TAS1R1ROCK2
SCHEMBL4720085 0.85 CENPE (0.54) CENPEROCK2RORCPOLBMEN1
SCHEMBL4718071 0.85 CENPE (0.49) CENPEPOLBMEN1KMT2AALDH1A1
SCHEMBL2104606 0.81 CENPE (0.48) CENPEKIFC1TAS1R3TAS1R1ROCK2
SCHEMBL4720907 0.81 TRPM8 (0.50) CENPESMPD1MEN1KMT2AALDH1A1
SCHEMBL4720148 0.80 PTGES (0.52) CENPESMPD1POLBMEN1KMT2A
SCHEMBL2617282 0.78 GAA (0.49) CENPECSNK2A1POLBMEN1KMT2A
SCHEMBL4717868 0.77 HDAC3 (0.46) CENPE
SCHEMBL13162181 0.76 CENPE (0.62) CENPEKIFC1TAS1R3TAS1R1ROCK2
SCHEMBL2617156 0.76 CENPE (0.79) CENPEKIFC1TAS1R3TAS1R1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed