SCHEMBL21976587

SCHEMBL21976587

O=C(c1ccc(NSc2cccc3cccnc23)cc1)N1CCC(O)(c2cccc(F)c2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.64

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
SCHEMBL21975963 0.94 PKLR (0.70) PKLR
SCHEMBL21975968 0.92 PKLR (0.60) PKLR
SCHEMBL21975979 0.91 PKLR (0.72) PKLR
SCHEMBL21976756 0.88 PKLR (0.71) PKLR
SCHEMBL21976477 0.87 PKLR (0.69) PKLR
SCHEMBL21976434 0.87 PKLR (0.60) PKLR
SCHEMBL21976588 0.86 PKLR (0.61) PKLR
SCHEMBL21976808 0.86 PKLR (0.56) PKLR
SCHEMBL21976235 0.86 PKLR (0.69) PKLR
SCHEMBL21976809 0.86 PKLR (0.65) 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
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