SCHEMBL5000746

SCHEMBL5000746

O=[N+]([O-])c1cc(C2(c3ccc(O)c([N+](=O)[O-])c3)c3cc(-c4ccccc4)ccc3-c3cccc(C#Cc4ccccc4)c32)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.44
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ABCC1 P33527 4/20 0.34
ABCB1 P08183 2/20 0.34
KCNMA1 Q12791 1/20 0.33
EIF4E P06730 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK2 Q15119 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MAOB P27338 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
SCHEMBL5000738 0.83 PDE4D (0.50) PDE4DMAPTMEN1NPC1KMT2A
SCHEMBL5000741 0.81 MAPT (0.39) MAPTCRHBPCRHR2ABCC1ABCB1
SCHEMBL2709865 0.81 HNF4A (0.41) PDE4DMAPTMEN1NPC1RAB9A
SCHEMBL27720190 0.76 MAPT (0.47) MAPTCRHBPCRHR2ABCC1ABCB1
SCHEMBL2706930 0.72 ESR1 (0.56) MAPTCRHBPCRHR2MEN1NPC1
SCHEMBL3559913 0.69 CRHBP (0.68) MAPTCRHBPCRHR2ABCC1ABCB1
SCHEMBL29878741 0.69 CRHBP (0.68) MAPTCRHBPCRHR2ABCC1ABCB1
SCHEMBL16660639 0.68 PDE4D (0.82) PDE4DPDK2
SCHEMBL2618792 0.68 ALDH1A1 (0.55) MAPTCRHBPCRHR2EIF4EPDK2
SCHEMBL11191772 0.68 HNF4A (0.54) MAPTCRHBPCRHR2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337982-B2 Comprising first repeating unit obtained by reaction of bisaminophenol compound and dicarboxylic acid, at least one of which has diamondoid structure and second repeating unit obtained by reaction of bisaminophenol compound having no diamondoid structure and dicarboxylic acid; heat resistance SUMITOMO BAKELITE CO., LTD. (JP) 2012-12-25 US disclosed
US-20080206548-A1 Benzoxazole Resin Precursor, Polybenzoxazole Resin, Resin Film And Semiconductor Device SUMITOMO BAKELITE CO., LTD (JP) 2008-08-28 US disclosed
EP-1832619-A1 BENZOXAZOLE RESIN PRECURSOR, POLYBENZOXAZOLE RESIN, RESIN FILM, AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company, Limited (JP) 2007-09-12 EP disclosed