SCHEMBL4615981

SCHEMBL4615981

Cc1nc(S(=O)(=O)Nc2ccc(C(Cc3ccccc3F)c3nc4c([nH]3)c(=O)[nH]c(=O)n4CC3CC3)cc2)cn1C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 16/20 0.59
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4614233 0.91 PCK1 (0.47) PCK1KDM4ELMNA
SCHEMBL4615659 0.89 PCK1 (0.59) PCK1
SCHEMBL4614243 0.87 PCK1 (0.53) PCK1
SCHEMBL4612921 0.87 PCK1 (0.58) PCK1
SCHEMBL4612956 0.85 PCK1 (0.55) PCK1
SCHEMBL4615362 0.85 PCK1 (0.60) PCK1LMNA
SCHEMBL4615633 0.85 PCK1 (0.59) PCK1
SCHEMBL4612950 0.84 PCK1 (0.45) PCK1
SCHEMBL4613199 0.84 PCK1 (0.47) PCK1
SCHEMBL4614318 0.83 PCK1 (0.43) PCK1

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
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP claimed