SCHEMBL13541012

SCHEMBL13541012

O=C1CCSc2cc3c(cc21)SC1C=CC=CC31

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
VHL P40337 1/20 0.40
ELOC Q15369 1/20 0.40
ELOB Q15370 1/20 0.40
HTT P42858 1/20 0.38

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
SCHEMBL13541006 0.86
SCHEMBL13541003 0.73 KDM4E (0.40) KDM4EALDH1A1VHLELOCELOB
SCHEMBL10363739 0.67 KDM4E (0.56) KDM4EALDH1A1VHLELOCELOB
SCHEMBL30888685 0.65 KDM4E (0.54) KDM4EALDH1A1VHLELOCELOB
SCHEMBL10364205 0.63 VHL (0.62) KDM4EALDH1A1VHLELOCELOB
SCHEMBL10888875 0.62 KDM4E (0.54) KDM4EALDH1A1VHLELOCELOB
SCHEMBL10890090 0.62 KDM4E (0.54) KDM4EALDH1A1VHLELOCELOB
SCHEMBL17463658 0.62 MAOA (0.43)
SCHEMBL86216 0.61 VHL (0.54) KDM4EALDH1A1VHLELOCELOB
SCHEMBL69545 0.61 VHL (0.64) KDM4EALDH1A1VHLELOCELOB

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