SCHEMBL29657332

SCHEMBL29657332

O=[N+]([O-])c1ccc(Oc2ccc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.61
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MYOC Q99972 1/20 0.53
SRD5A2 P31213 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9702088 1.00 HSPB1 (0.61) HSPB1ALDH1A1MEN1KMT2AHTT
SCHEMBL1283188 0.93 ALDH1A1 (0.61) HSPB1ALDH1A1MEN1KMT2AHTT
SCHEMBL1283744 0.87 HSPB1 (0.56) HSPB1ALDH1A1MEN1KMT2AHTT
SCHEMBL9183872 0.85 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AHTT
SCHEMBL2011179 0.85 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AHTT
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.85 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AHTT
SCHEMBL11689190 0.85 HSPB1 (0.79) HSPB1ALDH1A1MEN1KMT2AHTT
SCHEMBL311582 0.84 KMT2A (0.73) HSPB1ALDH1A1MEN1KMT2AHTT
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.83 HSPB1 (0.76) HSPB1ALDH1A1MEN1KMT2AHTT
SCHEMBL7632953 0.82 ALDH1A1 (0.77) HSPB1ALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136778-A Spiral MOC material photocatalyst and preparation method and application thereof 南京工业大学 2025-06-13 CN disclosed
CN-114656399-A Cavity spirochete imine silver complex 南京工业大学 2022-06-24 CN disclosed