SCHEMBL10540328

SCHEMBL10540328

CCCNc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.83
▸ GAA P10253 1/20 0.83
▸ HCAR3 P49019 11/20 0.68
▸ ALDH1A1 P00352 4/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NPC1 O15118 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ CASP6 P55212 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
SCHEMBL22118775 0.91 MAPT (0.71) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL7570478 0.90 MAPT (0.92) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL13043456 0.83 MAPT (0.68) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL2688335 0.81 HCAR3 (1.00) MAPTHCAR3ALDH1A1MEN1KMT2A
SCHEMBL27325723 0.80 ALDH1A1 (0.81) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL22118774 0.79 MAPT (0.55) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL22118777 0.79 MAPT (0.54) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL14700356 0.79 MAPT (0.61) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL5564368 0.78 HCAR3 (0.63) MAPTGAAHCAR3ALDH1A1MEN1
SCHEMBL11839922 0.78 MAPT (0.75) MAPTGAAHCAR3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806151-A ESTERIFICATION, THEN AMINATION OF 4-CHLORO-3,5-DINITRO-BENZOIC ACID; ACID CATALYST, SALT FORMATION OF EXCESS; FUNGICIDES, HERBICIDES BUDAPESTI VEGYIMUVEK (HU) 1989-02-21 — — US disclosed
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