SCHEMBL4615362

SCHEMBL4615362

Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 16/20 0.60
SGK1 O00141 3/20 0.34
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4613421 0.93 PCK1 (0.55) PCK1LMNACYP1A2CYP3A4GAA
SCHEMBL6277795 0.90 PCK1 (0.60) PCK1SGK1LMNA
SCHEMBL4614369 0.89 PCK1 (0.47) PCK1
SCHEMBL4667200 0.89 PCK1 (0.55) PCK1SGK1
SCHEMBL4615659 0.87 PCK1 (0.59) PCK1
SCHEMBL4615633 0.87 PCK1 (0.59) PCK1GAAMAPT
SCHEMBL4614243 0.85 PCK1 (0.53) PCK1
SCHEMBL4615981 0.85 PCK1 (0.59) PCK1LMNA
SCHEMBL4612921 0.84 PCK1 (0.58) PCK1
SCHEMBL4612956 0.83 PCK1 (0.55) 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