SCHEMBL5000741

SCHEMBL5000741

C#Cc1c(-c2ccccc2)ccc2c1C(c1ccc(O)c([N+](=O)[O-])c1)(c1ccc(O)c([N+](=O)[O-])c1)c1cc(-c3ccccc3)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ABCC1 P33527 5/20 0.35
ABCB1 P08183 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
KCNMA1 Q12791 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR35 Q9HC97 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.32

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
SCHEMBL2707921 0.83 MEN1 (0.45) MAPTALDH1A1PTPN22MEN1KMT2A
SCHEMBL5000746 0.81 PDE4D (0.44) MAPTCRHBPCRHR2ABCC1ABCB1
SCHEMBL4439613 0.72 PDK2 (0.37) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2709865 0.71 HNF4A (0.41) MAPTALDH1A1MEN1NPC1RAB9A
SCHEMBL2706930 0.71 ESR1 (0.56) MAPTCRHBPCRHR2ALDH1A1MEN1
SCHEMBL3559913 0.70 CRHBP (0.68) MAPTCRHBPCRHR2ABCC1ABCB1
SCHEMBL29878741 0.70 CRHBP (0.68) MAPTCRHBPCRHR2ABCC1ABCB1
SCHEMBL22187643 0.69 ESR2 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2618792 0.69 ALDH1A1 (0.55) MAPTCRHBPCRHR2ALDH1A1TDP1
SCHEMBL28537073 0.69 CRHBP (0.66) MAPTCRHBPCRHR2ABCC1ABCB1

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