SCHEMBL12177547

SCHEMBL12177547

COc1cccc(-c2ccc(/C=C3\S/C(=N/c4ccc(Cl)cc4)N(C)C3=O)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 4/20 0.56
▸ PIK3CG P48736 1/20 0.54
▸ TDP1 Q9NUW8 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ ALDH1A1 P00352 9/20 0.49
▸ MAPT P10636 9/20 0.49
▸ POLB P06746 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ RECQL P46063 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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 0.92 PSMB8 (0.57) PSMB8PIK3CGTDP1MEN1KMT2A
SCHEMBL12177545 0.92 PSMB8 (0.66) PSMB8PIK3CGTDP1MEN1KMT2A
SCHEMBL12177333 0.89 PSMB8 (0.62) PSMB8TDP1MEN1KMT2ACYP1A2
SCHEMBL12177594 0.86 PSMB8 (0.70) PSMB8TDP1MEN1KMT2ACYP1A2
SCHEMBL12177564 0.84 PSMB8 (0.67) PSMB8TDP1MEN1KMT2ACYP1A2
SCHEMBL12177593 0.83 PSMB8 (0.78) PSMB8TDP1MEN1KMT2ACYP1A2
SCHEMBL12177522 0.83 ALDH1A1 (0.50) TDP1ALDH1A1MAPTPOLBNPSR1
SCHEMBL12177429 0.82 PSMB8 (0.65) PSMB8TDP1MEN1KMT2ACYP1A2
SCHEMBL12177523 0.82 PIK3CG (0.65) PSMB8PIK3CGTDP1MEN1KMT2A
SCHEMBL14426563 0.81 PSMB8 (0.75) PSMB8TDP1MEN1KMT2AALDH1A1

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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