SCHEMBL13403436

SCHEMBL13403436

CSC(Nc1ccccc1Br)=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
HCRTR2 O43614 2/20 0.38
HCRTR1 O43613 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL10068738 0.83 HCRTR1 (0.38) HTTLMNAHCRTR2HCRTR1ALDH1A1
SCHEMBL4424169 0.81 ALDH1A1 (0.49) HTTMEN1KMT2ARAB9ALMNA
SCHEMBL4412254 0.79 L3MBTL1 (0.49) HTTMEN1KMT2ALMNAL3MBTL1
SCHEMBL13403434 0.79 ALDH1A1 (0.43) HTTMEN1KMT2ARAB9ALMNA
SCHEMBL4410194 0.78 L3MBTL1 (0.44) MEN1KMT2ARAB9ALMNAL3MBTL1
SCHEMBL4421352 0.77 ALDH1A1 (0.39) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL9022798 0.76 ALDH1A1 (0.53) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL2173133 0.72 HCAR3 (0.35) HTTRAB9ALMNANPC1L3MBTL1
SCHEMBL3553789 0.72 POLB (0.43) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL13437729 0.71 KMT2A (0.40) HTTMEN1KMT2ARAB9ALMNA

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
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed