SCHEMBL29635035

SCHEMBL29635035

CC(C)(C)OC(=O)[C@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.65
DNMT1 P26358 1/20 0.58

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
SCHEMBL4459711 1.00 KIF11 (0.65) KIF11DNMT1
SCHEMBL5996941 1.00 KIF11 (0.65) KIF11DNMT1
Hydrochloric Acid SCHEMBL25242234 0.99 KIF11 (0.64) KIF11DNMT1
Hydrochloric Acid SCHEMBL4459708 0.99 KIF11 (0.64) KIF11DNMT1
Hydrochloric Acid SCHEMBL4459715 0.99 KIF11 (0.64) KIF11DNMT1
SCHEMBL30745107 0.90 KIF11 (0.64) KIF11DNMT1
SCHEMBL8036028 0.89 KIF11 (0.60) KIF11DNMT1
SCHEMBL12872399 0.85 KIF11 (0.85) KIF11DNMT1
SCHEMBL3439368 0.85 KIF11 (0.85) KIF11DNMT1
SCHEMBL9137501 0.85 KIF11 (0.85) KIF11DNMT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478368-B Synthesis method and application of chiral paramagnetic probe Py-D-Cys-DTPA 南开大学 2024-09-20 CN claimed
CN-114478368-A Synthesis method and application of chiral paramagnetic probe Py-D-Cys-DTPA 南开大学 2022-05-13 CN claimed
CN-114478368-B Synthesis method and application of chiral paramagnetic probe Py-D-Cys-DTPA 南开大学 2024-09-20 CN disclosed
CN-114478368-A Synthesis method and application of chiral paramagnetic probe Py-D-Cys-DTPA 南开大学 2022-05-13 CN disclosed