SCHEMBL17320173

SCHEMBL17320173

O=C(c1ccc(N[S+]([O-])c2cccc3cccnc23)cc1)N1CC(O)(Cc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.67

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
SCHEMBL13824515 0.88 PKLR (0.52) PKLR
SCHEMBL21976449 0.82 PKLR (0.70) PKLR
SCHEMBL17208264 0.81 PKLR (0.69) PKLR
SCHEMBL21650944 0.80 PKLR (0.44) PKLR
SCHEMBL21976382 0.80 PKLR (0.71) PKLR
SCHEMBL21976446 0.80 PKLR (0.71) PKLR
SCHEMBL9936551 0.80 PKLR (1.00) PKLR
SCHEMBL21976674 0.80 PKLR (0.67) PKLR
SCHEMBL18753272 0.80 GRIN2B (0.47) PKLR
SCHEMBL23667388 0.79 L3MBTL1 (0.49) PKLR

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-2651898-B1 NOVEL N-(4-(AZETIDINE-1-CARBONYL)PHENYL)-(HETERO-)ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS INC (US) 2015-12-09 — — EP disclosed
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