SCHEMBL16084070

SCHEMBL16084070

O=C(c1ccc(NC(O)(O)c2cccc3cccnc23)cc1)N1CCC(CO)(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 18/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL16083890 0.82 PKLR (0.69) PKLR
SCHEMBL21976614 0.82 PKLR (0.52) PKLRMEN1KMT2AALDH1A1
SCHEMBL16049669 0.81 PKLR (0.77) PKLR
SCHEMBL16083831 0.78 PKLR (0.69) PKLR
SCHEMBL16084075 0.77 PKLR (0.69) PKLR
SCHEMBL21976611 0.71 PKLR (0.59) PKLR
SCHEMBL16083758 0.71 PKLR (0.86) PKLR
SCHEMBL21977201 0.69 PKLR (0.68) PKLR
SCHEMBL21976496 0.68 PKLR (0.58) PKLR
SCHEMBL16084045 0.68 PKLR (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
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