SCHEMBL16639329

SCHEMBL16639329

CC(C)c1cc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3)cc2)c2ccc3c(C(C)C)cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccccc5-c5ccccc5)cc4)c4ccc1c2c43

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NPY5R Q15761 1/20 0.32
TNKS O95271 2/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16641957 0.99 HSP90AA1 (0.33) HSP90AA1HSP90AB1NPY5RTNKSPARP1
SCHEMBL16639307 0.95 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL16639639 0.95 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL16639315 0.93 MAOB (0.33) TNKSPARP1TNKS2PARP2KDM4E
SCHEMBL16639342 0.91 TNKS (0.31) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL16639343 0.87 ALOX5 (0.35) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL16639334 0.87 ALOX5 (0.36) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL16639645 0.86 RARA (0.32) HSP90AA1
SCHEMBL16639640 0.85 ALOX5 (0.33)
SCHEMBL16639319 0.84 ALOX5 (0.34)

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