SCHEMBL694009

SCHEMBL694009

Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(CC(C)CC=O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 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
SCHEMBL694947 0.85 ALDH1A1 (0.44) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL3109122 0.85 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL694192 0.83 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL694451 0.83 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL694598 0.82 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL3113383 0.79 NPC1 (0.53) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL693874 0.79 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL697867 0.79 ALDH1A1 (0.55) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL3114097 0.79 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2MAPTLMNAHTT
SCHEMBL698759 0.78 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2MAPTLMNAHTT

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