SCHEMBL21609974

SCHEMBL21609974

COc1ccc(-c2noc(N3CCC(C4CCCCN4C=O)CC3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.56
▸ GAA P10253 1/20 0.54
▸ THRB P10828 2/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL20116592 0.78 MAPT (0.62) MAPTGAATHRBTP53MEN1
SCHEMBL20116655 0.75 SMN1; SMN2 (0.54) MAPTGAATHRBTP53MEN1
SCHEMBL30506255 0.74 MAPT (0.67) MAPTGAATHRBTP53MEN1
SCHEMBL20116597 0.74 MAPT (0.67) MAPTGAATHRBTP53MEN1
SCHEMBL26998415 0.74 MAPT (0.53) MAPTGAATHRBTP53MEN1
Hydrochloric Acid SCHEMBL20661124 0.73 MAPT (0.66) MAPTGAATHRBTP53MEN1
SCHEMBL26998422 0.72 SMN1; SMN2 (0.58) MAPTGAATHRBTP53POLB
SCHEMBL20116601 0.72 MAPT (0.57) MAPTTHRBTP53MEN1KMT2A
SCHEMBL20116262 0.71 MAPT (0.59) MAPTGAATHRBTP53MEN1
SCHEMBL20117011 0.71 MAPT (0.61) MAPTGAATHRBTP53MEN1

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
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
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