SCHEMBL11102138

SCHEMBL11102138

CC(=CC(=O)O)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 15/20 0.43
▸ HTT P42858 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DNMT1 P26358 1/20 0.36

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
SCHEMBL11102133 1.00 KIF11 (0.43) KIF11HTTNR4A1NR4A2NR4A3
SCHEMBL11102137 1.00 KIF11 (0.43) KIF11HTTNR4A1NR4A2NR4A3
SCHEMBL27415070 0.78 KIF11 (0.45) KIF11MAPTKMT2A
SCHEMBL11101874 0.74 KDM4E (0.39) KIF11
SCHEMBL11101870 0.74 KDM4E (0.39) KIF11
SCHEMBL11101876 0.74 KDM4E (0.39) KIF11
SCHEMBL22966169 0.73 CYP1A2 (0.44) KIF11MAPTKMT2ADNMT1
SCHEMBL4599455 0.72 KIF11 (0.41) KIF11MAPTKMT2A
SCHEMBL6946184 0.71 HTT (0.46) HTTNR4A2MAPTKMT2A
SCHEMBL6946186 0.71 HTT (0.46) HTTNR4A2MAPTKMT2A

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
EP-0105658-A1 Beta-lactam compounds BEECHAM GROUP PLC (GB) 1984-04-18 — — EP disclosed
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