SCHEMBL8125228

SCHEMBL8125228

Cc1c(OCc2ccccc2)c(=O)ccn1CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPC1 O15118 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAOB P27338 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL8115513 0.86 MEN1 (0.58) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8120084 0.84 MEN1 (0.56) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8125037 0.83 HTT (0.55) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8127109 0.82 HTT (0.53) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8114564 0.81 KDM4E (0.43) HTTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL8126763 0.80 MEN1 (0.56) HTTSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8122677 0.80 KDM4E (0.42) HTTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL8124640 0.80 MEN1 (0.55) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8128746 0.78 HTT (0.48) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8133893 0.77 KMT2A (0.47) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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
EP-1027335-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS Cerebrus Pharmaceuticals Limited (GB) 2000-08-16 — — EP disclosed
WO-1999023075-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-05-14 — — WO disclosed
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