SCHEMBL1755028

SCHEMBL1755028

C1=c2nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)nc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2=CCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 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
SCHEMBL1755012 0.95 PRKDC (0.30) PRKDC
SCHEMBL1755209 0.90 ALOX5 (0.37) PRKDC
SCHEMBL1755051 0.89 ALOX5 (0.37) PRKDC
SCHEMBL1755024 0.88
SCHEMBL10043206 0.87
SCHEMBL1755210 0.85
SCHEMBL15497615 0.84 ALDH1A1 (0.37) PRKDC
SCHEMBL15212995 0.83 PRKDC (0.34) PRKDC
SCHEMBL15497609 0.83 ALDH1A1 (0.38)
SCHEMBL19474376 0.82 TSHR (0.36)

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
WO-2012050371-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-04-19 WO disclosed