SCHEMBL30417023

SCHEMBL30417023

COC(=O)c1ncccc1-c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MAP2K1 Q02750 1/20 0.41
METAP1 P53582 1/20 0.40
CASP6 P55212 1/20 0.40
ECE1 P42892 1/20 0.40

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
SCHEMBL29228625 1.00 L3MBTL1 (0.50) L3MBTL1MAP2K1METAP1CASP6ECE1
SCHEMBL69177 0.82 L3MBTL1 (0.64) L3MBTL1MAP2K1
SCHEMBL30417625 0.81 KDM4E (0.49) L3MBTL1METAP1CASP6ECE1
SCHEMBL29228617 0.81 KDM4E (0.49) L3MBTL1METAP1CASP6ECE1
SCHEMBL28758910 0.81 SLC6A3 (0.48) MAP2K1
SCHEMBL2887102 0.80 CHEK2 (0.43) METAP1CASP6
SCHEMBL2496193 0.80 HCRTR1 (0.45) L3MBTL1ECE1
SCHEMBL30416661 0.79 SLC6A9 (0.39) METAP1CASP6
SCHEMBL29228590 0.77 KMT2A (0.50) L3MBTL1ECE1
SCHEMBL7812554 0.76 L3MBTL1 (0.57) L3MBTL1MAP2K1

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-109843879-B Benzothiazole derivatives as DYRK1 inhibitors 药物治疗股份有限公司 2023-05-02 CN disclosed