SCHEMBL30754625

SCHEMBL30754625

O=C(CBr)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.59
▸ LMNA P02545 4/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ PKM P14618 1/20 0.54
▸ POLB P06746 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL18711914 0.82 L3MBTL1 (0.61) L3MBTL1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL18701934 0.78 L3MBTL1 (0.57) L3MBTL1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL18952933 0.78 MAPT (0.70) L3MBTL1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL30754639 0.77 PKM (0.67) LMNASMN1; SMN2PKMPOLBALDH1A1
SCHEMBL26010794 0.75 L3MBTL1 (0.67) L3MBTL1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL4555736 0.75 L3MBTL1 (0.67) L3MBTL1LMNAMAPK1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL1348323 0.74 L3MBTL1 (0.66) L3MBTL1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL30754632 0.73 ALDH1A1 (0.68) L3MBTL1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL17175832 0.72 L3MBTL1 (0.55) L3MBTL1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL4228483 0.72 L3MBTL1 (0.63) L3MBTL1LMNAMAPK1SMN1; SMN2MAPT

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-117720528-A Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof 贵州大学 2024-03-19 — — CN disclosed
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