SCHEMBL21390624

SCHEMBL21390624

C=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1n2-c1cccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.33
TSPO P30536 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
SCHEMBL21390582 0.92 TSPO (0.34) PTGESTSPO
SCHEMBL11998239 0.91 PTGES (0.35) PTGESTSPO
SCHEMBL11998246 0.89 MAPT (0.35) PTGES
SCHEMBL11998243 0.89 MAPT (0.35) PTGES
SCHEMBL14405609 0.89 PTGES (0.32) PTGES
SCHEMBL21390598 0.88 KDM4E (0.38) PTGESTSPO
SCHEMBL11998281 0.88 PTGES (0.34) PTGESTSPO
SCHEMBL11998276 0.88 PTGES (0.34) PTGESTSPO
SCHEMBL21390625 0.87 KDM4E (0.31) PTGESTSPO
SCHEMBL21390581 0.87 KDM4E (0.31) PTGESTSPO

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-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed