SCHEMBL31409574

SCHEMBL31409574

Cc1ccc(S(=O)(=O)n2cc(I)c3c(CF)nccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH3A1 P30838 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ HTR6 P50406 9/20 0.38
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC9A1 P19634 1/20 0.34
▸ ALK Q9UM73 1/20 0.34

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
SCHEMBL31409555 0.82 HTR6 (0.43) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL30974795 0.81 L3MBTL1 (0.45) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL31409611 0.81 L3MBTL1 (0.42) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL31409707 0.77 L3MBTL1 (0.46) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL26176315 0.74 L3MBTL1 (0.48) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL31315855 0.73 KDM4E (0.50) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL30674367 0.72 L3MBTL1 (0.46) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL30668758 0.72 L3MBTL1 (0.46) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL2881500 0.72 L3MBTL1 (0.46) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL26930315 0.72 L3MBTL1 (0.46) L3MBTL1POLBALDH3A1HTTNOD1

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
WO-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 — — WO disclosed
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