SCHEMBL6605782

SCHEMBL6605782

CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)Cc1ccc2sccc2c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 9/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
HTT P42858 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
LMNA P02545 4/20 0.40
PKM P14618 3/20 0.40
HSD17B10 Q99714 3/20 0.40
JAK2 O60674 3/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
XBP1 P17861 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.39
ATM Q13315 2/20 0.39
MAPK1 P28482 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39

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
SCHEMBL6605788 1.00 PTPRB (0.42) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL6401305 0.95 PTPRB (0.40) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL6399531 0.85 CA2 (0.38) PTPRBHPGDHTTNPSR1LMNA
SCHEMBL6406008 0.83 PPARA (0.48) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL6406011 0.83 PPARA (0.48) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL7117234 0.77 CTNNB1 (0.36) KMT2AMEN1TP53ATMCTSS
SCHEMBL7127966 0.75 ATM (0.35) KMT2AMEN1TP53ATMCTSS
SCHEMBL6403235 0.75 CTNNB1 (0.37) KMT2AMEN1CA12
SCHEMBL6403233 0.74 CTNNB1 (0.39) KMT2AMEN1CA12
SCHEMBL6605239 0.74 CYP2A6 (0.46) KMT2AMEN1CA12

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