SCHEMBL31335990

SCHEMBL31335990

COC(=O)c1cc2cc(C)n(S(=O)(=O)c3ccc(C)cc3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NOD1 Q9Y239 2/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ AHR P35869 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TCF4 P15884 1/20 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
Hydrochloric Acid SCHEMBL27247073 0.86 KDM4E (0.44) KDM4ELMNATSHRL3MBTL1FFAR4
SCHEMBL30920412 0.80 MTNR1B (0.41) KDM4ELMNATSHRL3MBTL1HSD17B10
SCHEMBL18584655 0.76 FFAR4 (0.52) KDM4ELMNATSHRL3MBTL1FFAR4
SCHEMBL31336002 0.75 KDM4E (0.48) KDM4ELMNATSHRL3MBTL1HSD17B10
SCHEMBL27247273 0.75 MTNR1B (0.45) KDM4ELMNATSHRL3MBTL1HSD17B10
SCHEMBL10002626 0.73 NOD1 (0.61) KDM4ELMNATSHRL3MBTL1HSD17B10
SCHEMBL30920598 0.72 MTNR1B (0.42) KDM4ELMNATSHRL3MBTL1MAPK1
SCHEMBL30920116 0.72 NOD2 (0.47) KDM4ELMNATSHRL3MBTL1HSD17B10
SCHEMBL27247710 0.72 NOD2 (0.47) KDM4ELMNATSHRL3MBTL1HSD17B10
SCHEMBL16382679 0.71 LMNA (0.49) KDM4ELMNATSHRL3MBTL1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 — — EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 — — WO disclosed
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