SCHEMBL213263

SCHEMBL213263

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
DDX3X O00571 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CSNK2A2 P19784 4/20 0.38
CSNK2A1 P68400 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL213026 0.94 RAB9A (0.45) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL211215 0.94 CSNK2A2 (0.39) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL211918 0.94 RXFP1 (0.40) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL211534 0.94 CSNK2A2 (0.40) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL212054 0.93 CSNK2A2 (0.38) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL212239 0.93 CSNK2A2 (0.38) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL211530 0.91 CSNK2A2 (0.37) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL213354 0.91 KDM4E (0.43) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL213581 0.88 CSNK2A2 (0.42) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL211757 0.88 CSNK2A2 (0.41) KDM4ERAB9ANPC1KMT2ASMN1; 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