SCHEMBL6266154

SCHEMBL6266154

CCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1ccc([N+](=O)[O-])cc1)n2Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 2/20 0.53
▸ PCK1 P35558 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TPH1 P17752 4/20 0.46
▸ TPH2 Q8IWU9 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TNF P01375 1/20 0.43
▸ CXCL8 P10145 1/20 0.43
▸ G6PD P11413 1/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL3981826 0.77 PCK1 (0.78) PCK1
SCHEMBL6265951 0.77 TPH1 (0.60) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6390495 0.73 PCK1 (0.51) MEN1KMT2AALDH1A1PCK1TPH1
SCHEMBL6383665 0.72 PCK1 (0.49) MEN1KMT2AALDH1A1PCK1TPH1
SCHEMBL6390388 0.72 PCK1 (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4616197 0.68 PCK1 (0.38) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL3981808 0.67 SLC22A2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL4613028 0.67 KMT2A (0.41) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL22800969 0.65 ALDH1A1 (1.00) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4412642 0.64 MEN1 (0.41) MEN1KMT2ATDP1ALDH1A1KDM4E

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-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 — — EP disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 — — 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
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 — — WO disclosed
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