SCHEMBL12177545

SCHEMBL12177545

COc1cccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)o2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 8/20 0.66
▸ PIK3CG P48736 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ POLB P06746 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ PTPN1 P18031 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NSD2 O96028 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MCL1 Q07820 1/20 0.49

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
SCHEMBL12177546 0.93 PSMB8 (0.57) PSMB8PIK3CGALDH1A1POLBMAPT
SCHEMBL12177547 0.92 PSMB8 (0.56) PSMB8PIK3CGALDH1A1POLBMAPT
SCHEMBL12177213 0.89 PSMB8 (0.75) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177782 0.88 PSMB8 (0.82) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177564 0.84 PSMB8 (0.67) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177523 0.84 PIK3CG (0.65) PSMB8PIK3CGALDH1A1POLBMAPT
SCHEMBL12177463 0.83 TDP1 (0.58) ALDH1A1POLBMAPTLMNATDP1
SCHEMBL12177573 0.82 AURKA (0.60) LMNATDP1AURKA
SCHEMBL12177187 0.82 PSMB8 (0.80) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177746 0.82 PSMB8 (0.73) PSMB8ALDH1A1POLBMAPTLMNA

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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