SCHEMBL12177594

SCHEMBL12177594

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 8/20 0.70
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ POLB P06746 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ PKM P14618 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MGAM O43451 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HIF1AN Q9NWT6 1/20 0.52
▸ MCL1 Q07820 2/20 0.51

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
SCHEMBL12177429 0.96 PSMB8 (0.65) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL12177593 0.95 PSMB8 (0.78) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL12177333 0.93 PSMB8 (0.62) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL12177768 0.92 PSMB8 (0.84) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL12177176 0.90 PSMB8 (0.71) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL12177564 0.87 PSMB8 (0.67) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL14426566 0.87 POLB (0.69) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL12177782 0.86 PSMB8 (0.82) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL2586820 0.86 PSMB8 (0.92) PSMB8KMT2AALDH1A1POLBMAPT
SCHEMBL14426564 0.86 PSMB8 (0.92) PSMB8KMT2AALDH1A1POLBMAPT

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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