SCHEMBL20116655

SCHEMBL20116655

CCOc1ccc(-c2noc(N3CCC(C=O)CC3)n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 9/20 0.53
▸ GAA P10253 1/20 0.53
▸ THRB P10828 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 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
SCHEMBL26998415 0.88 MAPT (0.53) SMN1; SMN2MAPTGAATHRBMAPK1
SCHEMBL26998422 0.88 SMN1; SMN2 (0.58) SMN1; SMN2MAPTGAATHRBMAPK1
SCHEMBL20116262 0.86 MAPT (0.59) SMN1; SMN2MAPTGAATHRBMAPK1
SCHEMBL20117011 0.85 MAPT (0.61) SMN1; SMN2MAPTGAATHRBMAPK1
SCHEMBL22343934 0.83 SMN1; SMN2 (0.60) SMN1; SMN2MAPTGAATHRBMAPK1
SCHEMBL20116601 0.82 MAPT (0.57) SMN1; SMN2MAPTTHRBMAPK1TP53
SCHEMBL20116135 0.76 MAPT (0.53) SMN1; SMN2MAPTTHRBTP53ALDH1A1
SCHEMBL21609974 0.75 MAPT (0.56) SMN1; SMN2MAPTGAATHRBTP53
SCHEMBL22358160 0.75 MAPT (0.51) SMN1; SMN2MAPTTHRBMAPK1TP53
SCHEMBL20116633 0.75 MAPT (0.51) SMN1; SMN2MAPTTHRBMAPK1TP53

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 3 patents. 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
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — WO disclosed
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