SCHEMBL7783338

SCHEMBL7783338

C=C1CSCC(C(=O)OC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.31

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
SCHEMBL189981 0.78 KMT2A (0.38) KMT2ABRD4
SCHEMBL4703163 0.71 ALDH1A1 (0.43) KMT2A
SCHEMBL4703164 0.71 ALDH1A1 (0.43) KMT2A
SCHEMBL10362738 0.71 ALDH1A1 (0.43) KMT2A
SCHEMBL28798717 0.70 KMT2A (0.32) KMT2A
SCHEMBL10092110 0.69 KMT2A (0.31) KMT2A
SCHEMBL3969985 0.68 CYP1A2 (0.38) KMT2ABRD4
SCHEMBL2904103 0.68 KMT2A (0.36) KMT2ABRD4
SCHEMBL3970077 0.67 KMT2A (0.35) KMT2ABRD4
SCHEMBL3201971 0.66 BRD4 (0.39) KMT2ABRD4

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
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed