SCHEMBL5781878

SCHEMBL5781878

Cc1noc(C)c1S(=O)(=O)N1CCC(N2COCc3ccccc32)CC1.O=c1nc2ccccc2co1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL5433078 0.88 TSHR (0.55) TSHRLMNASMN1; SMN2USP2MAPK1
SCHEMBL5786579 0.87 MEN1 (0.40) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL5786541 0.84 HTR6 (0.42) SMN1; SMN2USP2PKMMAPTALDH1A1
SCHEMBL5781386 0.84 HTR6 (0.38) LMNASMN1; SMN2HTTPKMPOLB
SCHEMBL5697885 0.83 LMNA (0.39) TSHRLMNAUSP2HTTPKM
SCHEMBL5784647 0.82 THRB (0.41) LMNA
SCHEMBL6051263 0.82 HTR6 (0.43) USP2PKMALDH1A1
SCHEMBL5697915 0.81 HTR6 (0.37) TSHRLMNASMN1; SMN2USP2PKM
SCHEMBL5785250 0.79 HTR6 (0.38) TSHRSMN1; SMN2MAPK1HTTKMT2A
SCHEMBL5815922 0.79 PKM (0.38) LMNAMAPK1PKMPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO disclosed
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