SCHEMBL20828320

SCHEMBL20828320

O=C(Cc1cccc(N2CCC2)c1)Nc1nnc(C2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCC5)c4)s3)C2)s1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 11/20 0.70
▸ MAPT P10636 2/20 0.52
▸ RECQL P46063 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNQ2 O43526 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
SCHEMBL15725186 1.00 GLS (0.70) GLSMAPTRECQLALDH1A1PKM
SCHEMBL15725195 0.98 GLS (0.70) GLSMAPTRECQLALDH1A1PKM
SCHEMBL15725187 0.93 GLS (0.66) GLSMAPTPKMSMN1; SMN2
SCHEMBL20828348 0.93 GLS (0.66) GLSMAPTPKMSMN1; SMN2
SCHEMBL15725188 0.93 GLS (0.66) GLSMAPTRECQLALDH1A1PKM
SCHEMBL15725189 0.93 GLS (0.66) GLSMAPTRECQLALDH1A1PKM
SCHEMBL17172644 0.92 GLS (0.62) GLSMAPTRECQLALDH1A1KDM4E
SCHEMBL15752641 0.90 GLS (0.67) GLSMAPTRECQLALDH1A1PKM
SCHEMBL20392401 0.89 GLS (0.66) GLSMAPTRECQLALDH1A1PKM
SCHEMBL15725192 0.89 GLS (0.66) GLSMAPTRECQLALDH1A1PKM

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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