SCHEMBL21788915

SCHEMBL21788915

COC(=O)C1(Br)CCN(c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 16/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL21829639 0.83 METAP2 (0.49) METAP2HDAC8HDAC6MEN1KMT2A
SCHEMBL30577920 0.81 HDAC8 (0.49) METAP2HDAC8HDAC6CYP3A4CYP2C19
SCHEMBL31150920 0.73 HSD11B1 (0.50) METAP2HDAC8HDAC6MEN1KMT2A
SCHEMBL305455 0.71 HDAC8 (0.50) METAP2HDAC8HDAC6MEN1KMT2A
SCHEMBL6410939 0.70 HSD11B1 (0.53) METAP2HDAC8HDAC6MEN1KMT2A
SCHEMBL4002163 0.70 OPRM1 (0.46) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL14817519 0.70 METAP2 (0.51) METAP2HDAC8HDAC6
SCHEMBL15374431 0.69 METAP2 (0.57) METAP2
SCHEMBL15374437 0.69 METAP2 (0.57) METAP2
SCHEMBL15367166 0.69 METAP2 (0.57) METAP2

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
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed