SCHEMBL28295520

SCHEMBL28295520

CCOC(=O)c1sc(-c2ccc3ccccc3c2)nc1C

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.64
DBF4 Q9UBU7 7/20 0.64
DHODH Q02127 2/20 0.62
LMNA P02545 1/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TRPM8 Q7Z2W7 6/20 0.57
MAPT P10636 4/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 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
SCHEMBL289996 0.95 CDC7 (0.65) CDC7DBF4DHODHLMNAKDM4E
SCHEMBL290104 0.89 KDM4E (0.59) CDC7DBF4DHODHLMNAKDM4E
SCHEMBL28295517 0.89 CDC7 (0.51) CDC7DBF4DHODHLMNAKDM4E
SCHEMBL1983299 0.85 CDC7 (0.70) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL289229 0.85 CDC7 (0.73) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL1316281 0.85 CDC7 (0.77) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL28295522 0.84 CDC7 (0.67) CDC7DBF4DHODHLMNAKDM4E
SCHEMBL2880861 0.84 CDC7 (0.67) CDC7DBF4LMNAKDM4EALDH1A1
SCHEMBL2881560 0.84 CDC7 (0.63) CDC7DBF4DHODHLMNAKDM4E
SCHEMBL12875919 0.83 CDC7 (0.66) CDC7DBF4LMNAKDM4EALDH1A1

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