SCHEMBL2836253

SCHEMBL2836253

O=C=Nc1cccc2c(N=C=O)cccc12.O=C=Nc1cccc2c(N=C=O)cccc12.O=C=Nc1cccc2c(N=C=O)cccc12.O=C=Nc1cccc2c(N=C=O)cccc12.c1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
SLC6A4 P31645 3/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2B P41595 1/20 0.39
CCR2 P41597 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CFTR P13569 1/20 0.33

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
SCHEMBL8491592 0.86 CYP3A4 (0.44) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1
SCHEMBL29370250 0.84 CYP3A4 (0.62) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1
SCHEMBL22210 0.84 CYP3A4 (0.62) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1
SCHEMBL29405309 0.80 CYP3A4 (0.50) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1
SCHEMBL27066 0.80 CYP3A4 (0.50) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1
SCHEMBL300705 0.79 CYP3A4 (0.44) CYP3A4SLC6A4ALDH1A1HPGDTDP1
SCHEMBL28831497 0.78 CYP3A4 (0.56) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1
SCHEMBL28036817 0.77 CYP3A4 (0.43) CYP3A4ALDH1A1TDP1HDAC1HDAC8
Alpha-Naphthylisocyanate SCHEMBL374 0.76 CYP1A2 (0.64) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1
SCHEMBL5573537 0.76 CYP3A4 (0.54) CYP3A4SLC6A4ABCB11ALDH1A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8490916-B2 Suspension system for aircraft auxiliary power unit with elastomeric member LORD CORPORATION (US) 2013-07-23 US disclosed
US-20130092788-A1 SUSPENSION SYSTEM FOR AIRCRAFT AUXILIARY POWER UNIT WITH ELASTOMERIC MEMBER LORD CORPORATION 2013-04-18 US disclosed
US-20100038471-A1 Suspension system for aircraft auxiliary power unit with elastomeric member LORD CORPORATION (US) 2010-02-18 US disclosed
US-7183354-B2 Room temperature curable functionalized HNBR coating LORD CORPORATION (US) 2007-02-27 US disclosed
US-6777026-B2 FILM FORMING ELASTOMER, A ROOM TEMPERATURE CURING AGENT, AND THERMALLY CONDUCTIVE METAL PARTICLES; PROTECTIVE LORD CORPORATION 2004-08-17 US disclosed
US-20040068036-A1 Flexible emissive coatings for elastomer substrates LORD CORPORATION 2004-04-08 US disclosed
US-20030152790-A1 Room temperature curable functionalized HNBR coating LORD CORPORATION 2003-08-14 US disclosed
US-6512039-B1 A peroxide-cured elastomer adhesive composition, said composition absent a reactive nitroso group containing compound and consisting essentially of a diluent, a film former, a polymaleimide compound, a precipitated silica, and LORD CORPORATION 2003-01-28 US disclosed
EP-0018814-A1 Flexible polyurethane foam BP Chemicals Limited (GB) 1980-11-12 EP disclosed