SCHEMBL17830461

SCHEMBL17830461

CC(C)NC(=S)Nc1ccc(/C=C/c2ccc(N)cc2)c(S(=O)(=O)ON)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.38
ENPP2 Q13822 1/20 0.36
HPGD P15428 3/20 0.36
ALOX12 P18054 2/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 3/20 0.34
RAD51 Q06609 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL17830467 0.90 RAB9A (0.47) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL19726895 0.79 ENPP2 (0.49) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL14361680 0.78 ENPP2 (0.58) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL14361673 0.78 ENPP2 (0.58) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL19713085 0.77 ENPP2 (0.62) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL19713084 0.77 ENPP2 (0.62) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL19726893 0.76 KDM4E (0.46) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL19713051 0.76 ENPP2 (0.51) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL17830245 0.76 ENPP2 (0.51) KDM4EALDH1A1ENPP2HPGDALOX12
SCHEMBL17830431 0.74 ENPP2 (0.54) KDM4EALDH1A1ENPP2APEX1CA1

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
WO-2016094897-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE THE JACKSON LABORATORY (US) 2016-06-16 WO disclosed