SCHEMBL30605156

SCHEMBL30605156

[N-]=[N+]=Nc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
PPARG P37231 1/20 0.46
HGFAC Q04756 1/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41

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
SCHEMBL17747133 0.79 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL733571 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL15083335 0.77 HTR2A (0.48) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL15290178 0.77 MAPT (0.60) ALDH1A1KMT2AMAPTGAAPKM
SCHEMBL28491071 0.76 KMT2A (0.62) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL2823735 0.76 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL754748 0.75 KMT2A (0.59) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL4256409 0.75 RAB9A (0.64) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL11873963 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL30258384 0.75 RAB9A (0.64) ALDH1A1KMT2AMAPTKDM4EGAA

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-116731944-A Salt-tolerant p-nitrophenol mineralization strain, construction method and application thereof 南开大学 2023-09-12 CN claimed
CN-116731944-A Salt-tolerant p-nitrophenol mineralization strain, construction method and application thereof 南开大学 2023-09-12 CN disclosed