SCHEMBL212239

SCHEMBL212239

COC(=O)CCC[C@@H](COC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.38
CSNK2A1 P68400 6/20 0.38
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 3/20 0.34

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
SCHEMBL211215 0.94 CSNK2A2 (0.39) CSNK2A2CSNK2A1KDM4ERAB9AHDAC1
SCHEMBL211918 0.94 RXFP1 (0.40) CSNK2A2CSNK2A1KDM4ERAB9AHDAC1
SCHEMBL215000 0.94 CSNK2A2 (0.41) CSNK2A2CSNK2A1KDM4ERAB9AHDAC1
SCHEMBL211534 0.94 CSNK2A2 (0.40) CSNK2A2CSNK2A1KDM4ERAB9ASMN1; SMN2
SCHEMBL213263 0.93 KDM4E (0.45) CSNK2A2CSNK2A1KDM4ERAB9AHDAC1
SCHEMBL212054 0.93 CSNK2A2 (0.38) CSNK2A2CSNK2A1KDM4ERAB9AHDAC1
SCHEMBL211530 0.91 CSNK2A2 (0.37) CSNK2A2CSNK2A1KDM4ERAB9ARXFP1
SCHEMBL213354 0.91 KDM4E (0.43) CSNK2A2CSNK2A1KDM4ERAB9ARXFP1
SCHEMBL213581 0.88 CSNK2A2 (0.42) CSNK2A2CSNK2A1KDM4ERAB9AHDAC1
SCHEMBL211757 0.88 CSNK2A2 (0.41) CSNK2A2CSNK2A1KDM4ERAB9ASMN1; SMN2

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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed