SCHEMBL6607311

SCHEMBL6607311

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
PDE10A Q9Y233 6/20 0.35
CYP1A2 P05177 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6399028 0.92 HIF1A (0.35) HIF1AEPAS1PDE10ACYP1A2PTGES
SCHEMBL6606815 0.90 PDE10A (0.36) HIF1AEPAS1PDE10ACYP1A2PTGES
SCHEMBL6399798 0.90 HIF1A (0.37) HIF1AEPAS1PDE10ACYP1A2KMT2A
SCHEMBL6606605 0.89 HPGD (0.38) HIF1AEPAS1PDE10ACYP1A2PTGES
Hydrochloric Acid SCHEMBL6404910 0.86 HIF1A (0.31) HIF1AEPAS1CYP1A2MMP1FCER2
SCHEMBL6662759 0.84 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KMT2A
SCHEMBL6400329 0.84 CYP1A2 (0.35) HIF1AEPAS1PDE10ACYP1A2PTGES
SCHEMBL6077244 0.84 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KMT2A
SCHEMBL6401582 0.83 CYP1A2 (0.38) HIF1AEPAS1PDE10ACYP1A2PTGES
SCHEMBL6400533 0.83 CYP1A2 (0.38) HIF1AEPAS1PDE10ACYP1A2PTGES

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