SCHEMBL13541014

SCHEMBL13541014

CCN1c2cc3c(cc2C2C=CC=CC21)SCCC3=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.35
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35

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
SCHEMBL13912281 0.88
SCHEMBL87196 0.76 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL13541012 0.69 KDM4E (0.42) KDM4EALDH1A1HTTVHLELOC
SCHEMBL13541003 0.67 KDM4E (0.40) KDM4EALDH1A1HTTVHLELOC
SCHEMBL20110411 0.61 ALDH1A1 (0.41) KDM4EALDH1A1HTT
SCHEMBL10363739 0.61 KDM4E (0.56) KDM4EALDH1A1HTTVHLELOC
SCHEMBL86366 0.60 ALDH1A1 (0.47) KDM4EALDH1A1HTTVHLELOC
SCHEMBL14818045 0.60
SCHEMBL21610328 0.60
SCHEMBL30888685 0.59 KDM4E (0.54) KDM4EALDH1A1HTTVHLELOC

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
US-20100015352-A1 INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed