SCHEMBL12177593

SCHEMBL12177593

CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 9/20 0.78
▸ ALDH1A1 P00352 3/20 0.61
▸ POLB P06746 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ TDP1 Q9NUW8 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PTPN1 P18031 1/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HIF1AN Q9NWT6 1/20 0.52
▸ MGAM O43451 1/20 0.50

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
SCHEMBL12177594 0.95 PSMB8 (0.70) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177782 0.92 PSMB8 (0.82) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177429 0.91 PSMB8 (0.65) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177187 0.91 PSMB8 (0.80) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177768 0.89 PSMB8 (0.84) PSMB8ALDH1A1POLBMAPTTDP1
SCHEMBL12177333 0.88 PSMB8 (0.62) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177213 0.88 PSMB8 (0.75) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177746 0.86 PSMB8 (0.73) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL12177176 0.85 PSMB8 (0.71) PSMB8ALDH1A1POLBMAPTLMNA
SCHEMBL14426566 0.84 POLB (0.69) PSMB8ALDH1A1POLBMAPTRAB9A

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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