SCHEMBL6605952

SCHEMBL6605952

CC(C)OC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.36
ALPL P05186 3/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
PDE10A Q9Y233 5/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
ACACB O00763 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6400327 0.90 CYP1A2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6400334 0.90 CYP1A2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6607764 0.87 MMP2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6607771 0.87 MMP2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6609609 0.87 CYP1A2 (0.39) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6609601 0.87 CYP1A2 (0.39) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6604910 0.86 HPGD (0.46) HPGDCYP1A2HIF1AEPAS1PDE10A
SCHEMBL6404069 0.85 CYP1A2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6404062 0.85 CYP1A2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6754693 0.83 MMP2 (0.40) CYP1A2ALPLHIF1AEPAS1PDE10A

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
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed