SCHEMBL16582803

SCHEMBL16582803

C1=Cc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c3ccccc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
PRKDC P78527 1/20 0.32

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
SCHEMBL1687819 1.00 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL1709204 0.91 ALOX5 (0.39) ALOX5PRKDC
SCHEMBL10064745 0.88
SCHEMBL14234115 0.88 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL10064322 0.88
SCHEMBL22813236 0.87
SCHEMBL10050478 0.86 KDM4E (0.33) ALOX5
SCHEMBL25625551 0.86 ALOX5 (0.38) ALOX5PRKDC
SCHEMBL26358161 0.86 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL1687788 0.86 ALOX5 (0.48) ALOX5PRKDC

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-2015036080-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-03-19 WO disclosed