SCHEMBL31069941

SCHEMBL31069941

NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)O)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.66
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MMP2 P08253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ CA1 P00915 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45

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
SCHEMBL31069940 0.86 KDM4E (0.52) CA2L3MBTL1MMP2KDM4ELMNA
SCHEMBL10658071 0.83 CA2 (0.58) CA2TDP1L3MBTL1HTTALDH1A1
SCHEMBL10658082 0.83 CA2 (0.58) CA2TDP1L3MBTL1HTTALDH1A1
SCHEMBL11084329 0.81 CA2 (0.47) CA2MMP2KDM4ELMNAGLA
SCHEMBL11122413 0.81 CA2 (0.62) CA2KDM4ELMNAGLAMAPT
SCHEMBL25249160 0.80 CA2 (1.00) CA2TDP1L3MBTL1ALDH1A1CA1
SCHEMBL16369616 0.80 CA2 (1.00) CA2TDP1L3MBTL1ALDH1A1CA1
SCHEMBL16369614 0.80 CA2 (1.00) CA2TDP1L3MBTL1ALDH1A1CA1
SCHEMBL11084531 0.79 CA2 (0.44) CA2KDM4ELMNAGLAMAPT
SCHEMBL11084537 0.79 CA2 (0.44) CA2KDM4ELMNAGLAMAPT

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-118684654-A Compound with antihypertensive activity and synthesis method thereof 复旦大学 2024-09-24 — — CN disclosed
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