SCHEMBL694947

SCHEMBL694947

CC(CC=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL694009 0.85 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL13101348 0.84 MAPT (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL694672 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL698319 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL693864 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL693802 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL693105 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL3107610 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL15197213 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL3108469 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1

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
EP-2421838-A2 ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
WO-2010123960-A2 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 WO disclosed