SCHEMBL6265951

SCHEMBL6265951

CCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1ccc(N)cc1)n2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 14/20 0.60
▸ TPH2 Q8IWU9 14/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ HPGD P15428 1/20 0.58
▸ USP2 O75604 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6266154 0.77 MEN1 (0.56) TPH1TPH2ALDH1A1MEN1KMT2A
SCHEMBL18039282 0.75 TPH2 (1.00) TPH1TPH2
SCHEMBL3104007 0.74 MEN1 (0.75) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3980633 0.74 PCK1 (0.78) —
SCHEMBL19827091 0.74 TPH2 (1.00) TPH1TPH2
SCHEMBL18036518 0.72 TPH2 (1.00) TPH1TPH2
SCHEMBL19090461 0.72 MEN1 (0.56) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19874755 0.71 TPH2 (1.00) TPH1TPH2
SCHEMBL1713302 0.71 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22105477 0.71 MEN1 (0.68) TPH1TPH2ALDH1A1MEN1KMT2A

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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