SCHEMBL3399092

SCHEMBL3399092

CCN(CCO)CCCCCCOc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.52
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
CACNA1H O95180 2/20 0.46
CACNA1B Q00975 2/20 0.46
ALDH1A1 P00352 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.44
CYP19A1 P11511 1/20 0.44
SCN3A Q9NY46 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL7163236 0.92 LMNA (0.54) LSSLMNAHTTSMN1; SMN2TSHR
SCHEMBL3398614 0.85 CACNA1B (0.62) LMNAHTTSMN1; SMN2TSHRCACNA1H
SCHEMBL7169288 0.82 CYP19A1 (0.53) LMNAHTTSMN1; SMN2TSHRCACNA1H
SCHEMBL3366865 0.81 LSS (0.58) LSSCACNA1HCACNA1B
SCHEMBL3365125 0.80 LSS (0.56) LSSCACNA1HCACNA1B
SCHEMBL3397097 0.78 LSS (0.51) LSSLMNAHTTSMN1; SMN2TSHR
SCHEMBL7203719 0.77 LSS (0.71) LSSLMNAALDH1A1
SCHEMBL4803161 0.73 LSS (0.71) LSSLMNA
SCHEMBL4803171 0.73 LSS (0.71) LSSLMNA
SCHEMBL3365715 0.73 LSS (0.54) LSSCACNA1HCACNA1B

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 disclosed