SCHEMBL14958663

SCHEMBL14958663

CBCCOc1ccc(NC(=O)CCN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
BDKRB1 P46663 5/20 0.44
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3440273 0.89 LMNA (0.52) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL3444298 0.83 LMNA (0.53) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3444079 0.82 LMNA (0.60) LMNAKMT2AMEN1SMN1; SMN2BDKRB1
SCHEMBL3440398 0.81 LMNA (0.56) LMNAKMT2AMEN1SMN1; SMN2BDKRB1
SCHEMBL3443833 0.81 LMNA (0.50) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL10118754 0.80 LMNA (0.49) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL3443843 0.78 LMNA (0.48) LMNAKMT2AALDH1A1MEN1RAB9A
SCHEMBL14958754 0.77 MAPT (0.54) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL3440493 0.77 LMNA (0.47) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL10118935 0.77 LMNA (0.46) LMNAKMT2AALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed