SCHEMBL3115259

SCHEMBL3115259

NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2819738 0.90 TDP1 (0.51) KMT2AUSP2SMN1; SMN2ALDH1A1MEN1
SCHEMBL3127119 0.89 ALDH1A1 (0.50) KMT2AUSP2MAPK1ALDH1A1MEN1
SCHEMBL2819158 0.87 KMT2A (0.50) KMT2AUSP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2819224 0.86 KMT2A (0.47) KMT2AUSP2ALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL2822895 0.86 KMT2A (0.49) KMT2AUSP2MAPK1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2825072 0.85 KMT2A (0.47) KMT2AUSP2ALDH1A1MEN1MAPT
SCHEMBL2820050 0.85 USP2 (0.64) KMT2AUSP2ALDH1A1MEN1MAPT
SCHEMBL2820130 0.82 KMT2A (0.51) KMT2AUSP2MAPK1ALDH1A1MEN1
SCHEMBL2820008 0.82 KMT2A (0.51) KMT2AUSP2SMN1; SMN2ALDH1A1MAPT
SCHEMBL2823334 0.81 USP2 (0.42) KMT2AUSP2MAPK1SMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700586-B2 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2010-04-20 US claimed