SCHEMBL7907263

SCHEMBL7907263

CC(C)(C)OC(=O)NC(=S)NNc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 7/20 0.42
GAA P10253 4/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 4/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 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
SCHEMBL8728287 0.94 MAPT (0.41) MAPTALDH1A1GAACA1CA2
SCHEMBL1414807 0.85 MAPT (0.52) MAPTALDH1A1GAACA1CA2
SCHEMBL12237514 0.79 GAA (0.62) MAPTALDH1A1GAACA1CA2
SCHEMBL7908264 0.79 ALDH1A1 (0.35) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL8723108 0.76 ALDH1A1 (0.35) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL243401 0.76 CYP17A1 (0.56) MAPTALDH1A1CA1CA2CA12
SCHEMBL4749029 0.76 MAPT (0.55) MAPTALDH1A1GAACA1CA2
SCHEMBL8385553 0.74 MAPT (0.48) MAPTALDH1A1CA2CA12EPHX2
SCHEMBL617014 0.73 MAPT (0.52) MAPTALDH1A1CA1CA2EPHX2
SCHEMBL4884888 0.72 GAA (0.44) MAPTALDH1A1GAACA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217845-B1 IMAGING; THERAPY ANORMED, INC. (CA) 2001-04-17 US disclosed
EP-0384769-B1 Protein labelling JOHNSON MATTHEY PLC (GB) 1996-04-24 EP disclosed
US-5420285-A Imaging for medicine JOHNSON MATTHEY, INC. (US) 1995-05-30 US disclosed
EP-0384769-A2 Protein labelling JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1990-08-29 EP disclosed