SCHEMBL13737553

SCHEMBL13737553

CCN(CC)c1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
ATM Q13315 1/20 0.57
TRPA1 O75762 3/20 0.55
FKBP1A P62942 1/20 0.55
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL3058822 0.84 AADAT (0.54) TSHRL3MBTL1ALDH1A1
SCHEMBL13571329 0.84 TSHR (0.64) TSHRATMTRPA1FKBP1ALMNA
SCHEMBL13571358 0.83 ATM (0.74) TSHRATMFKBP1ALMNASMN1; SMN2
SCHEMBL13736542 0.83 ATM (0.60) TSHRATMTRPA1FKBP1ALMNA
SCHEMBL13736538 0.83 ATM (0.60) TSHRATMTRPA1FKBP1ALMNA
SCHEMBL13571296 0.83 FKBP1A (0.77) TSHRATMFKBP1ALMNASMN1; SMN2
SCHEMBL13571295 0.83 FKBP1A (0.77) TSHRATMFKBP1ALMNASMN1; SMN2
SCHEMBL17136401 0.81 TSHR (0.63) TSHRATMTRPA1FKBP1ALMNA
SCHEMBL13570968 0.81 L3MBTL1 (0.71) TSHRATMFKBP1ALMNASMN1; SMN2
SCHEMBL13570683 0.79 TSHR (0.94) TSHRATMFKBP1ALMNASMN1; SMN2

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-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO 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