SCHEMBL4622699

SCHEMBL4622699

CC1=C([SiH](Cc2ccccc2)C2=C(C)[CH]c3cccc(-c4ccccc4)c32)c2c(cccc2-c2ccccc2)[CH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HTR7 P34969 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4621854 0.83 TP53 (0.31)
SCHEMBL7598594 0.82 TDP1 (0.33) ALDH1A1
SCHEMBL7009420 0.80 PDCD1 (0.35) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL1507320 0.80 PDCD1 (0.35) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL5600529 0.73 PDCD1 (0.39) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL4623136 0.72 PDCD1 (0.40) PDCD1CD274HTR7HDAC4HDAC2
SCHEMBL5084808 0.72 PDCD1 (0.40) PDCD1CD274HTR7HDAC4HDAC2
SCHEMBL5690207 0.71 PDCD1 (0.39) PDCD1CD274HTR7HDAC4HDAC2
SCHEMBL7920406 0.70 HDAC4 (0.40) HDAC4HDAC2HDAC8ALDH1A1HSD17B10
SCHEMBL5608711 0.70 PDCD1 (0.37) PDCD1CD274HDAC4HDAC2HDAC8

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
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed