SCHEMBL22255992

SCHEMBL22255992

CC(C)c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3ccc4c(Br)ccc5ccc2c3c54)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CRHR1 P34998 2/20 0.32
PRKDC P78527 1/20 0.31

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
SCHEMBL22256121 0.89 TNKS (0.32) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL2516572 0.84 ALOX5 (0.45) ALOX5PRKDC
SCHEMBL22255951 0.84 ALOX5 (0.37) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL12206320 0.83 ALOX5 (0.44) ALOX5HDAC6PRKDC
SCHEMBL17036295 0.83 ALOX5 (0.39) ALOX5PRKDC
SCHEMBL12206335 0.82 ALOX5 (0.43) ALOX5PRKDC
SCHEMBL4079852 0.82 TNKS (0.35) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL12206322 0.81 ALOX5 (0.41) ALOX5PRKDC
SCHEMBL12206336 0.81 ALOX5 (0.43) ALOX5PRKDC
SCHEMBL12206323 0.81 ALOX5 (0.43) ALOX5TNKSPARP1TNKS2PARP2

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-20200235320-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 US disclosed