SCHEMBL28628291

SCHEMBL28628291

CCOC(=O)c1sc(-c2ccnc(CC)c2)nc1C

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.80
DBF4 Q9UBU7 12/20 0.80
LMNA P02545 1/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TRPM8 Q7Z2W7 6/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL27942952 0.89 CDC7 (1.00) CDC7DBF4KDM4ETRPM8MAPT
SCHEMBL27875453 0.86 CDC7 (0.63) CDC7DBF4KDM4EALDH1A1MAPT
SCHEMBL28672541 0.82 CDC7 (0.65) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL5733147 0.82 CDC7 (1.00) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL27942950 0.80 CDC7 (0.65) CDC7DBF4KDM4ETRPM8MAPT
SCHEMBL28295522 0.80 CDC7 (0.67) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL5237276 0.79 CDC7 (0.64) CDC7DBF4ALDH1A1MAPT
SCHEMBL12875919 0.79 CDC7 (0.66) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL28795822 0.78 MAPT (0.56) CDC7DBF4KDM4EALDH1A1MAPT
SCHEMBL4170788 0.78 ALDH1A1 (0.63) CDC7DBF4LMNAALDH1A1MAPT

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-113149980-A Tert-butyloxycarbonyl micromolecule organic compound targeting PUF60, derivative thereof and application thereof 上海市奉贤区中心医院 2021-07-23 CN disclosed