SCHEMBL30021089

SCHEMBL30021089

CCCCCCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.63
▸ KMT2A Q03164 6/20 0.56
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ GAA P10253 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ CNR1 P21554 2/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL31480868 0.90 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL9643537 0.85 ALDH1A1 (0.72) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL9363832 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL10033424 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1CRHBP
SCHEMBL11577373 0.83 LMNA (0.63) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL11257514 0.83 MEN1 (0.57) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL30675600 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL14452372 0.81 L3MBTL1 (0.61) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL20679537 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL11883071 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTMEN1TDP1

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-115279839-A Dye composition 纪和化学工业株式会社 2022-11-01 — — CN disclosed
CN-115244139-A Dye for dyeing with supercritical carbon dioxide 国立大学法人福井大学 2022-10-25 — — CN disclosed
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