SCHEMBL4730155

SCHEMBL4730155

Cc1cc2c(cc1S(=O)(=O)NCC1CCOCC1)S(=O)(=O)c1ccccc1C21CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.39
PKM P14618 1/20 0.38
CNR1 P21554 3/20 0.35
MITF O75030 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM1A O60341 1/20 0.33
GBA1 P04062 1/20 0.33
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 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
SCHEMBL4732243 0.99 CNR2 (0.39) CNR2PKMCNR1MITFTSHR
SCHEMBL4732817 0.88 CNR2 (0.39) CNR2PKMCNR1TSHRHTT
SCHEMBL4733963 0.86 CNR2 (0.38) CNR2PKMCNR1TSHRHTT
SCHEMBL4732186 0.86 HTT (0.36) TSHRHTTLMNAGAA
SCHEMBL4732586 0.85 HTT (0.38) TSHRHTTLMNAGAANPSR1
SCHEMBL4798089 0.82 ALDH1A1 (0.37) CNR2PKMLMNAGBA1
SCHEMBL4731973 0.80 HPGD (0.39) LMNAGAANPSR1
SCHEMBL4734831 0.79 PARG (0.36) TSHRHTT
SCHEMBL4733897 0.78 CNR2 (0.40) CNR2PKMCNR1TSHRHTT
SCHEMBL4732673 0.78 CNR2 (0.40) CNR2PKMCNR1TSHRHTT

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed