SCHEMBL31307604

SCHEMBL31307604

CN(CC(=O)O)C(=O)c1csc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.48
CYP17A1 P05093 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
PSMB8 P28062 1/20 0.42
MAPT P10636 3/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
HPGDS O60760 1/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
LMNA P02545 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC10 Q969S8 2/20 0.39

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
SCHEMBL31307581 0.86 SREBF2 (0.44) SREBF2CYP17A1TDP1MAPTNPY1R
SCHEMBL31717344 0.84 SREBF2 (0.48) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL2025129 0.84 ALDH1A1 (0.57) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL31307597 0.83 SREBF2 (0.47) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL25361898 0.81 HDAC1 (0.54) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL25360717 0.79 RAB9A (0.57) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL26013556 0.77 HDAC1 (0.52) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL25361542 0.77 SREBF2 (0.48) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL25363985 0.76 TDP1 (0.48) SREBF2CYP17A1TDP1PSMB8MAPT
SCHEMBL25360393 0.76 TDP1 (0.48) SREBF2CYP17A1TDP1PSMB8MAPT

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-119301105-A Thiostrepton-based compounds for the treatment of cancer and preparation thereof RS肿瘤学有限责任公司 2025-01-10 CN disclosed