SCHEMBL20828348

SCHEMBL20828348

CN1CCN(c2cccc(CC(=O)Nc3nnc(C4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CCN(C)CC7)c6)s5)C4)s3)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 17/20 0.66
▸ MAPT P10636 1/20 0.51
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL15725187 1.00 GLS (0.66) GLSMAPTPKMSMN1; SMN2
SCHEMBL15725186 0.93 GLS (0.70) GLSMAPTPKMSMN1; SMN2
SCHEMBL15725195 0.93 GLS (0.70) GLSMAPTPKMSMN1; SMN2
SCHEMBL20828320 0.93 GLS (0.70) GLSMAPTPKMSMN1; SMN2
SCHEMBL20828291 0.91 GLS (0.54) GLSMAPT
SCHEMBL15725189 0.89 GLS (0.66) GLSMAPTPKMSMN1; SMN2
SCHEMBL15725188 0.89 GLS (0.66) GLSMAPTPKMSMN1; SMN2
SCHEMBL17172644 0.87 GLS (0.62) GLSMAPT
SCHEMBL15752633 0.86 GLS (0.67) GLSPKMSMN1; SMN2
SCHEMBL15752641 0.86 GLS (0.67) GLSMAPTPKMSMN1; SMN2

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-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 — — EP disclosed
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