SCHEMBL28297230

SCHEMBL28297230

COc1ccc(-c2ncc(C(=O)OCCO)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.55
DBF4 Q9UBU7 1/20 0.55
HDAC1 Q13547 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43

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
SCHEMBL4894167 0.87 CDC7 (0.73) CDC7DBF4HDAC1HDAC3HDAC4
SCHEMBL4895408 0.79 CSNK2A2 (0.59) CDC7DBF4HDAC1HDAC3HDAC4
SCHEMBL28295659 0.77 CDC7 (0.57) CDC7DBF4ALDH1A1KMT2AMEN1
SCHEMBL23794795 0.74 CDC7 (0.79) CDC7DBF4ALDH1A1KMT2AMEN1
SCHEMBL15104954 0.73 CDC7 (0.68) CDC7DBF4HDAC1HDAC3HDAC4
SCHEMBL16456794 0.73 CDC7 (0.77) CDC7DBF4ALDH1A1KMT2AMEN1
SCHEMBL23794643 0.72 CDC7 (0.63) CDC7DBF4HDAC1HDAC3HDAC4
SCHEMBL3864040 0.72 CSNK2A2 (0.47) CDC7DBF4HDAC1HDAC3HDAC4
SCHEMBL2822677 0.72 CDC7 (0.75) CDC7DBF4ALDH1A1KMT2AMEN1
SCHEMBL8345238 0.72 CDC7 (0.75) CDC7DBF4HDAC1HDAC3HDAC4

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
CN-109810071-A A kind of miRNA biosynthesis inhibitor 中国科学院成都生物研究所 2019-05-28 CN disclosed