SCHEMBL13570535

SCHEMBL13570535

O=C(NCc1cccc(C2CC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.62
TDP1 Q9NUW8 1/20 0.55
ATM Q13315 1/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51

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
SCHEMBL13570536 1.00 FKBP1A (0.62) FKBP1ATDP1ATMMAPTL3MBTL1
SCHEMBL13571273 0.91 TSHR (0.65) FKBP1ATDP1ATMMAPTL3MBTL1
SCHEMBL13571274 0.91 TSHR (0.65) FKBP1ATDP1ATMMAPTL3MBTL1
SCHEMBL13571191 0.88 FKBP1A (0.77) FKBP1ATDP1ATML3MBTL1POLB
SCHEMBL13571408 0.86 FKBP1A (0.64) FKBP1ATDP1ATMMAPTL3MBTL1
SCHEMBL13571407 0.86 FKBP1A (0.64) FKBP1ATDP1ATMMAPTL3MBTL1
SCHEMBL13570949 0.84 FKBP1A (0.60) FKBP1ATDP1ATML3MBTL1POLB
SCHEMBL13570951 0.84 FKBP1A (0.60) FKBP1ATDP1ATML3MBTL1POLB
SCHEMBL894013 0.81 ATM (0.67) FKBP1ATDP1ATMMAPTL3MBTL1
SCHEMBL13570491 0.81 FKBP1A (0.61) FKBP1ATDP1MAPTL3MBTL1

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
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO claimed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP claimed
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO disclosed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP disclosed