SCHEMBL20195691

SCHEMBL20195691

CCOC(=O)c1sc(-c2cc(C)c(O)c(C#N)c2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.55
DBF4 Q9UBU7 5/20 0.55
XDH P47989 5/20 0.50
TRPM8 Q7Z2W7 6/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
BLVRB P30043 1/20 0.46
TARBP2 Q15633 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL469731 0.84 CDC7 (0.58) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL30804867 0.84 CDC7 (0.58) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL2185744 0.82 CDC7 (0.53) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL2186318 0.81 CDC7 (0.55) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL1983504 0.81 XDH (0.65) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3710935 0.81 CDC7 (0.49) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL1981415 0.81 CDC7 (0.54) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL2185472 0.81 CDC7 (0.54) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL19523349 0.80 XDH (0.60) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL19523342 0.80 XDH (0.65) CDC7DBF4XDHTRPM8KDM4E

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
EP-2927219-B1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2018-05-30 EP disclosed