SCHEMBL28809840

SCHEMBL28809840

Brc1ccc(-c2cnnn2Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.58
HDAC1 Q13547 4/20 0.55
HDAC3 O15379 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
P2RX7 Q99572 1/20 0.54
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GALR3 O60755 1/20 0.50
MAPT P10636 1/20 0.50
NPY1R P25929 1/20 0.50
STAT3 P40763 1/20 0.50
NPY2R P49146 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49

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
SCHEMBL2895467 0.89 CDC7 (0.61) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL25010024 0.84 CDC7 (0.58) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL20497362 0.83 CDC7 (0.56) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL28633144 0.81 HDAC1 (0.58) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL18381687 0.81 CDC7 (0.54) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL17086049 0.81 CDC7 (0.54) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL2895624 0.81 CDC7 (0.54) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL2897806 0.79 CDC7 (0.70) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL27953889 0.79 CDC7 (0.52) CDC7HDAC1HDAC3HDAC2HDAC10
SCHEMBL28351323 0.78 HDAC3 (0.39) CDC7HDAC1HDAC3HDAC2HDAC10

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-103613551-A Synthesis method for substituted triazole compound UNIV GUANGXI NORMAL 2014-03-05 CN disclosed