SCHEMBL27935666

SCHEMBL27935666

CCOC(=O)c1sc(-c2ccccc2)nc1N

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.78
DBF4 Q9UBU7 10/20 0.78
TRPM8 Q7Z2W7 5/20 0.73
ALDH1A1 P00352 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 2/20 0.58
HPGD P15428 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
RARA P10276 1/20 0.56
RARB P10826 1/20 0.56
RARG P13631 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL15049258 0.89 CDC7 (0.78) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL27997093 0.86 CDC7 (0.74) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL17318008 0.86 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL1316281 0.86 CDC7 (0.77) CDC7DBF4TRPM8ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL15049014 0.85 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL6338322 0.84 TRPM8 (1.00) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL4503056 0.84 CDC7 (0.88) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL1726531 0.84 TRPM8 (0.71) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL23702797 0.83 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL289229 0.83 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1HSD17B10

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-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN disclosed