SCHEMBL3397097

SCHEMBL3397097

C=CCN(C)CCCCOc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.51
CACNA1B Q00975 3/20 0.49
CACNA1H O95180 2/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
CYP19A1 P11511 1/20 0.45
SCN3A Q9NY46 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3398614 0.86 CACNA1B (0.62) CACNA1BCACNA1HLMNAHTTSMN1; SMN2
SCHEMBL7163236 0.83 LMNA (0.54) LSSCACNA1BCACNA1HLMNAHTT
SCHEMBL3363582 0.81 LSS (0.56) LSSCACNA1BCACNA1HALDH1A1
SCHEMBL3364647 0.80 LSS (0.57) LSSCACNA1BCACNA1HALDH1A1
SCHEMBL3368283 0.80 LSS (0.56) LSS
SCHEMBL3363347 0.79 LSS (0.57) LSS
SCHEMBL7169288 0.78 CYP19A1 (0.53) CACNA1BCACNA1HLMNAHTTSMN1; SMN2
SCHEMBL3399092 0.78 LSS (0.52) LSSCACNA1BCACNA1HLMNAHTT
SCHEMBL3365436 0.76 CACNA1B (0.48) LSSCACNA1BCACNA1H
SCHEMBL3399066 0.74 SMN1; SMN2 (0.53) LSSCACNA1BCACNA1HLMNAHTT

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-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed