SCHEMBL8999469

SCHEMBL8999469

O=[N+]([O-])c1ccc(Oc2ccc3c(Oc4ccc([N+](=O)[O-])cc4)cccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HSPB1 P04792 3/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.46
FFAR1 O14842 1/20 0.45
MAPT P10636 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43
ALOX5 P09917 2/20 0.43
PTGES O14684 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL347599 0.86 HSPB1 (0.53) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL27715376 0.85 HSPB1 (0.61) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL9389173 0.81 L3MBTL1 (0.51) ALDH1A1HSPB1MEN1KMT2AHTT
SCHEMBL1283188 0.81 ALDH1A1 (0.61) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL30570728 0.79 HSPB1 (0.57) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL9330033 0.79 HSPB1 (0.57) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL7632953 0.79 ALDH1A1 (0.77) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL27188054 0.79 ALDH1A1 (0.77) ALDH1A1HSPB1KDM4EMEN1KMT2A
SCHEMBL28053128 0.78 ALOX5 (0.59) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9702088 0.77 HSPB1 (0.61) ALDH1A1HSPB1KDM4EMEN1KMT2A

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
WO-1992012120-A1 BIS(AMINOPHENOXY)NAPHTHALENES AND BIS(NITROPHENOXY)NAPHTHALENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO claimed
JP-6025107-A None JP disclosed
EP-0606365-B1 NOVEL POLYIMIDES FROM BIS(4-AMINOPHENOXY) NAPHTHALENE AND 2,2-BIS(3,4-DICARBOXYPHENYL) HEXAFLUOROPROPANE DIANHYDRIDE DU PONT (US) 1996-09-04 EP disclosed
EP-0606365-A1 NOVEL POLYIMIDES FROM BIS(4-AMINOPHENOXY) NAPHTHALENE AND 2,2-BIS(3,4-DICARBOXYPHENYL) HEXAFLUOROPROPANE DIANHYDRIDE. DU PONT (US) 1994-07-20 EP disclosed
JP-H0625107-A BIS@(3754/24)NITROPHENOXY) NAPHTHALENE COMPOUND, BIS@(3754/24)AMINOPHENOXY) NAPHTHALENE COMPOUND AND THEIR PRODUCTION SUMITOMO CHEM CO LTD 1994-02-01 JP disclosed
US-5225517-A POLYIMIDES FROM BIS(4-AMINOPHENOXY) NAPHTHALENE AND 2,2-BIS (3,4-DICARBOXYPHENYL) HEXAFLUOROPROPANE DIANHYDRIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-06 US disclosed
WO-1993007200-A1 NOVEL POLYIMIDES FROM BIS(4-AMINOPHENOXY) NAPHTHALENE AND 2,2-BIS(3,4-DICARBOXYPHENYL) HEXAFLUOROPROPANE DIANHYDRIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-15 WO disclosed
WO-1992012120-A1 BIS(AMINOPHENOXY)NAPHTHALENES AND BIS(NITROPHENOXY)NAPHTHALENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO disclosed
WO-1992012120-A1 BIS(AMINOPHENOXY)NAPHTHALENES AND BIS(NITROPHENOXY)NAPHTHALENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO disclosed