SCHEMBL694143

SCHEMBL694143

CC(=O)CC(Cl)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 10/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.43
OPRM1 P35372 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL694354 0.86 L3MBTL1 (0.45) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL698319 0.85 ALDH1A1 (0.51) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL3108469 0.84 ALDH1A1 (0.53) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL693591 0.83 L3MBTL1 (0.49) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL3107610 0.83 ALDH1A1 (0.56) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL693864 0.82 ALDH1A1 (0.54) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL693802 0.82 ALDH1A1 (0.55) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL13101348 0.81 MAPT (0.53) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL693878 0.80 USP2 (0.55) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL693734 0.80 KMT2A (0.46) L3MBTL1TDP1POLBALDH1A1KMT2A

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