SCHEMBL2586820

SCHEMBL2586820

CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N/c1ccc(C(=O)O)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 12/20 0.92
▸ ALDH1A1 P00352 4/20 0.77
▸ MEN1 O00255 3/20 0.77
▸ KMT2A Q03164 3/20 0.77
▸ TDP1 Q9NUW8 3/20 0.77
▸ POLB P06746 3/20 0.77
▸ MAPT P10636 3/20 0.77
▸ PKM P14618 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ STAT3 P40763 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ INSR P06213 1/20 0.53
▸ IGF1R P08069 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL2586823 1.00 PSMB8 (0.92) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL14426564 1.00 PSMB8 (0.92) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL12177768 0.95 PSMB8 (0.84) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL14426561 0.95 PSMB8 (0.84) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL14426551 0.95 PSMB8 (0.84) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL14426563 0.88 PSMB8 (0.75) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL12177176 0.87 PSMB8 (0.71) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL12177594 0.86 PSMB8 (0.70) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL12177782 0.86 PSMB8 (0.82) PSMB8ALDH1A1MEN1KMT2ATDP1
SCHEMBL12177564 0.84 PSMB8 (0.67) PSMB8ALDH1A1MEN1KMT2ATDP1

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