SCHEMBL13588682

SCHEMBL13588682

C=C1CSCC(OCCOC(=O)CC#N)CSC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL10092149 0.81 KDM4E (0.34) KDM4EMAPTKMT2A
SCHEMBL10039161 0.79 ALDH1A1 (0.34)
SCHEMBL13588669 0.73
SCHEMBL11585172 0.72 NAAA (0.38) MAPTKMT2A
SCHEMBL6890414 0.70 MCL1 (0.43) MAPTKMT2A
SCHEMBL13900093 0.65
SCHEMBL3785372 0.65 MCL1 (0.39)
SCHEMBL13557224 0.65 MCL1 (0.39)
SCHEMBL10092013 0.64 NAAA (0.40) KDM4E
SCHEMBL1417200 0.63

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
US-20090297955-A1 OPTICAL RECORDING COMPOSITION, HOLOGRAPHIC RECORDING MEDIUM, AND METHOD OF RECORDING AND REPRODUCING INFORMATION FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed
US-20090297955-A1 OPTICAL RECORDING COMPOSITION, HOLOGRAPHIC RECORDING MEDIUM, AND METHOD OF RECORDING AND REPRODUCING INFORMATION FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed