SCHEMBL16639334

SCHEMBL16639334

CC(C)c1cc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2ccc3c(C(C)C)cc(-c4ccc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)cc4)c4ccc1c2c43

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
TNKS O95271 2/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PRKDC P78527 2/20 0.31
GGPS1 O95749 1/20 0.31
ATM Q13315 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
RARA P10276 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
SCHEMBL16639343 0.98 ALOX5 (0.35) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL16639319 0.96 ALOX5 (0.34) ALOX5
SCHEMBL16639640 0.94 ALOX5 (0.33) ALOX5
SCHEMBL22489362 0.93 ALOX5 (0.33) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL22489356 0.92 ALOX5 (0.33) ALOX5
SCHEMBL16639308 0.91 MAOB (0.33) ALOX5TNKSPARP1TNKS2PARP2
SCHEMBL22489288 0.89 MAOB (0.33) ALOX5TNKSPARP1TNKS2PARP2
SCHEMBL27055798 0.88 MAOB (0.37) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL4079924 0.88 ALOX5 (0.36) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL4084608 0.88 ALOX5 (0.34) ALOX5TNKSPARP1TNKS2HDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-20150102321-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-16 US disclosed
US-20150102290-A1 DISUBSTITUTED PYRENE COMPOUNDS WITH AMINO GROUP CONTAINING ORTHO ARYL GROUP UNIVERSAL DISPLAY CORPORATION (US) 2015-04-16 US disclosed
US-20150102290-A1 DISUBSTITUTED PYRENE COMPOUNDS WITH AMINO GROUP CONTAINING ORTHO ARYL GROUP UNIVERSAL DISPLAY CORPORATION (US) 2015-04-16 US disclosed
US-20150102321-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-16 US disclosed