SCHEMBL21976864

SCHEMBL21976864

Cc1cc(CC2(O)CCN(C(=O)c3ccc(N[S+]([O-])c4cccc5nccnc45)cc3)CC2)sn1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.70

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
SCHEMBL21976209 0.83 PKLR (0.72) PKLR
SCHEMBL16050800 0.82 PKLR (1.00) PKLR
SCHEMBL21976414 0.81 PKLR (0.52) PKLR
SCHEMBL21976495 0.81 PKLR (0.70) PKLR
SCHEMBL21976741 0.80 PKLR (0.70) PKLR
SCHEMBL21976533 0.79 PKLR (0.56) PKLR
SCHEMBL21976152 0.79 PKLR (0.68) PKLR
SCHEMBL16083849 0.77 PKLR (0.59) PKLR
SCHEMBL21976449 0.77 PKLR (0.70) PKLR
SCHEMBL21977134 0.76 PKLR (0.69) 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-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
Send feedback