SCHEMBL302986

SCHEMBL302986

COc1cccc(CN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)S(=O)(=O)c2ccccc2)c1OC.O=C(c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 1/20 0.49
PKLR P30613 5/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
REV1 Q9UBZ9 1/20 0.41

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
SCHEMBL3275353 0.90 LMNA (0.53) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL304091 0.83 LMNA (0.56) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL3275402 0.82 LMNA (0.64) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL303307 0.80 LMNA (0.71) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL302104 0.78 LMNA (0.61) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL1711049 0.78 LMNA (0.62) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL303551 0.78 LMNA (0.60) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL1710747 0.76 LMNA (0.59) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL303907 0.76 LMNA (0.65) LMNAHTTSMN1; SMN2KMT2AHPGD
SCHEMBL302243 0.76 LMNA (0.62) LMNAHTTSMN1; SMN2KMT2AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500834-A 2012-01-12 JP claimed
EP-2344456-A1 NOVEL POTASSIUM CHANNEL BLOCKER Xention Limited (GB) 2011-07-20 EP claimed
WO-2010023445-A1 NOVEL POTASSIUM CHANNEL BLOCKER XENTION LIMITED (GB) 2010-03-04 WO claimed