SCHEMBL4972021

SCHEMBL4972021

O=C(NCc1ccc(S(=O)(=O)N2CCN(CCCN3CCCCC3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 5/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPK1 P28482 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
GALR3 O60755 1/20 0.42
HTT P42858 2/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL3479799 0.92 KMT2A (0.53) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL3479879 0.87 MAPK9 (0.55) ALDH1A1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL2421336 0.84 MAPK9 (0.55) ALDH1A1GAAKMT2ALMNASMN1; SMN2
SCHEMBL7434456 0.82 KMT2A (0.48) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL4197141 0.81 KMT2A (0.40) ALDH1A1GAAKMT2ALMNASMN1; SMN2
SCHEMBL2428799 0.78 MAPK9 (0.61) ALDH1A1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL2422063 0.77 MAPK9 (0.52) ALDH1A1GAAKMT2ALMNASMN1; SMN2
SCHEMBL2419998 0.77 MAPK9 (0.53) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL2428926 0.77 MAPK9 (0.53) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL2423789 0.76 MAPK9 (0.56) ALDH1A1KMT2ALMNAPOLBSMN1; SMN2

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-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed