SCHEMBL17830247

SCHEMBL17830247

CC(=O)Nc1ccc(/C=C/c2ccc(NC(=S)NC(C)C)cc2S(=O)(=O)NC(=O)C(C)C)c(S(=O)(=O)NC(=O)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.51
RAD51 Q06609 2/20 0.45
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.43
APEX1 P27695 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL19713069 0.93 ENPP2 (0.53) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830394 0.93 ENPP2 (0.53) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL19726891 0.92 ENPP2 (0.44) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830249 0.91 ENPP2 (0.53) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL19713037 0.91 ENPP2 (0.53) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL22607607 0.91 ENPP2 (0.43) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830396 0.89 ENPP2 (0.48) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL17830248 0.87 ENPP2 (0.47) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL14358597 0.86 ENPP2 (0.69) ENPP2RAD51KDM4ERAB9AAPEX1
SCHEMBL14358601 0.86 ENPP2 (0.69) ENPP2RAD51KDM4ERAB9AAPEX1

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