SCHEMBL12177563

SCHEMBL12177563

COc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(C)cc4)N(C)C3=O)o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 7/20 0.63
▸ ALDH1A1 P00352 9/20 0.59
▸ MAPT P10636 7/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ ALOX12 P18054 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ POLB P06746 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54

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
SCHEMBL12177564 0.96 PSMB8 (0.67) PSMB8ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL12177176 0.93 PSMB8 (0.71) PSMB8ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL12177333 0.91 PSMB8 (0.62) PSMB8ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL12177213 0.91 PSMB8 (0.75) PSMB8ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL12177546 0.89 PSMB8 (0.57) PSMB8ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL12177429 0.88 PSMB8 (0.65) PSMB8ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12177187 0.88 PSMB8 (0.80) PSMB8ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12177746 0.88 PSMB8 (0.73) PSMB8ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12177594 0.83 PSMB8 (0.70) PSMB8ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12177782 0.81 PSMB8 (0.82) PSMB8ALDH1A1MAPTSMN1; SMN2KDM4E

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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