SCHEMBL28295522

SCHEMBL28295522

CCOC(=O)c1sc(-c2ccc(C)c(C)c2)nc1C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.67
DBF4 Q9UBU7 8/20 0.67
DHODH Q02127 3/20 0.60
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TRPM8 Q7Z2W7 6/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
KMT2A Q03164 1/20 0.51
CRHR2 Q13324 1/20 0.51

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
SCHEMBL12186978 0.90 CDC7 (0.64) CDC7DBF4DHODHKDM4EALDH1A1
SCHEMBL28297249 0.88 CDC7 (0.53) CDC7DBF4DHODHKDM4EALDH1A1
SCHEMBL12126118 0.85 CDC7 (0.62) CDC7DBF4DHODHKDM4EALDH1A1
SCHEMBL15316366 0.85 CDC7 (0.59) CDC7DBF4DHODHKDM4EALDH1A1
SCHEMBL892889 0.85 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL28295520 0.84 CDC7 (0.64) CDC7DBF4DHODHKDM4EALDH1A1
SCHEMBL290384 0.83 CDC7 (0.75) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL10994239 0.83 CDC7 (0.63) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL12875919 0.83 CDC7 (0.66) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL2823339 0.82 CDC7 (0.73) CDC7DBF4KDM4EALDH1A1TRPM8

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