SCHEMBL4616197

SCHEMBL4616197

CCCCc1c(NCCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)n(Cc2ccccc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PCK1 P35558 3/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GPR18 Q14330 1/20 0.36
▸ GNRHR P30968 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PKM P14618 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
SCHEMBL3981808 0.75 SLC22A2 (0.42) PCK1KMT2AMEN1ALDH1A1HTT
SCHEMBL6387889 0.73 PCK1 (0.43) PCK1KMT2AMEN1MAPTKDM4E
SCHEMBL3981826 0.68 PCK1 (0.78) PCK1
SCHEMBL6266154 0.68 MEN1 (0.56) PCK1KMT2AMEN1MAPTKDM4E
SCHEMBL7978856 0.64 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL28633352 0.64 POLB (0.53) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4737258 0.63 KCNH2 (0.67) MAPTALDH1A1SMN1; SMN2
SCHEMBL6712518 0.62 MAPT (0.63) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL28121312 0.62 PTPRF (0.71) KMT2AMEN1MAPTALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL18045530 0.62 KCNH2 (0.65) MAPTALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 — — EP disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 — — EP disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 — — WO disclosed
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