SCHEMBL13570751

SCHEMBL13570751

O=C(NCc1ccc(C(F)(F)F)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
TRPA1 O75762 5/20 0.65
TSHR P16473 1/20 0.62
FKBP1A P62942 1/20 0.59
BRD4 O60885 1/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL13571358 0.92 ATM (0.74) ATMTSHRFKBP1AMAPTTDP1
SCHEMBL13571316 0.91 ATM (0.64) ATMTRPA1TSHRFKBP1AMAPT
SCHEMBL13570707 0.91 FKBP1A (0.66) ATMTRPA1FKBP1ABRD4TDP1
SCHEMBL13570706 0.91 FKBP1A (0.66) ATMTRPA1FKBP1ABRD4TDP1
SCHEMBL13571127 0.88 TSHR (0.64) ATMTRPA1TSHRFKBP1AMAPT
SCHEMBL893040 0.88 TSHR (0.59) ATMTRPA1TSHRFKBP1ABRD4
SCHEMBL5716996 0.88 FKBP1A (0.74) ATMTSHRFKBP1ABRD4TDP1
SCHEMBL13571295 0.87 FKBP1A (0.77) ATMTSHRFKBP1AMAPTTDP1
SCHEMBL13739605 0.87 TSHR (0.73) ATMTRPA1TSHRFKBP1AMAPT
SCHEMBL13570805 0.87 POLB (0.71) ATMTSHRFKBP1AMAPTTDP1

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