SCHEMBL694672

SCHEMBL694672

CC(CC=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 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
SCHEMBL694038 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL694192 0.85 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL3111754 0.85 MAPT (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL694947 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL693652 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL693478 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL3103378 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL3116137 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL693154 0.78 USP2 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL693425 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