SCHEMBL16639645

SCHEMBL16639645

CC(C)c1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2)c2ccc3c(C(C)C)cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)c4ccc1c2c43

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.32
METAP2 P50579 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSP90AA1 P07900 1/20 0.30
USP1 O94782 2/20 0.30
WDR48 Q8TAF3 2/20 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
SCHEMBL16639318 0.95 HPRT1 (0.33) RARAUSP1WDR48
SCHEMBL17573105 0.89 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL16641957 0.87 HSP90AA1 (0.33) HSP90AA1
SCHEMBL12433909 0.86 ALDH1A1 (0.34) RARAMETAP2CA12CA1CA2
SCHEMBL16639329 0.86 HSP90AA1 (0.33) HSP90AA1
SCHEMBL16639343 0.86 ALOX5 (0.35)
SCHEMBL17263989 0.86 RARA (0.30) RARA
SCHEMBL10354397 0.84 ADRA2A (0.30)
SCHEMBL16639307 0.84 HSP90AA1 (0.31) HSP90AA1
SCHEMBL16639639 0.84 HSP90AA1 (0.31) HSP90AA1

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 5 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-20150102321-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-16 US disclosed