SCHEMBL694038

SCHEMBL694038

O=CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
TBXA2R P21731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3111754 0.88 MAPT (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL694672 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL693478 0.85 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL693154 0.83 USP2 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL695019 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL693425 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL693652 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL694883 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3116137 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL694213 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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