SCHEMBL693591

SCHEMBL693591

CC(=O)CC(Cl)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
OPRM1 P35372 1/20 0.41
TBXA2R P21731 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
GAA P10253 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
SCHEMBL693652 0.85 ALDH1A1 (0.50) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL3116137 0.85 ALDH1A1 (0.52) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL3103378 0.83 ALDH1A1 (0.55) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL694143 0.83 L3MBTL1 (0.47) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL693478 0.82 ALDH1A1 (0.54) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL694883 0.82 ALDH1A1 (0.50) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL3111754 0.82 MAPT (0.52) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL693154 0.80 USP2 (0.54) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL28022447 0.80 ALDH1A1 (0.46) L3MBTL1TDP1POLBALDH1A1KMT2A
SCHEMBL694017 0.80 FAAH (0.48) 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