SCHEMBL11783605

SCHEMBL11783605

Nc1ccc(O)c2cccc([N+](=O)[O-])c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.50
▸ GPR35 Q9HC97 3/20 0.48
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ KAT2B Q92831 1/20 0.44
▸ KAT8 Q9H7Z6 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL11781264 0.87 TDP1 (0.50) CTSBTDP1GPR35MAPTLMNA
SCHEMBL8687514 0.84 TDP1 (0.61) CTSBTDP1GPR35MAPTMEN1
SCHEMBL11812795 0.81 TDP1 (0.50) CTSBTDP1MAPTLMNAMEN1
SCHEMBL17058720 0.81 CTSB (0.65) CTSBTDP1GPR35MAPTLMNA
SCHEMBL17607327 0.80 CTSB (0.59) CTSBTDP1GPR35MAPTLMNA
SCHEMBL8689065 0.79 TDP1 (0.57) CTSBTDP1GPR35MAPTMEN1
SCHEMBL11783112 0.78 CTSB (0.51) CTSBTDP1GPR35MAPTLMNA
SCHEMBL11813764 0.77 CTSB (0.65) CTSBTDP1GPR35MAPTLMNA
SCHEMBL1913575 0.77 ALDH1A1 (0.52) TDP1GPR35MAPTMEN1KMT2A
SCHEMBL32674585 0.77 ALDH1A1 (0.52) TDP1GPR35MAPTMEN1KMT2A

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
US-3931255-A REDUCING OXIME, IRON(2) IONS AND HYDROGEN HALIDE, OXIDIZING THE NAPHTHOL BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 — — US disclosed
US-3931255-A REDUCING OXIME, IRON(2) IONS AND HYDROGEN HALIDE, OXIDIZING THE NAPHTHOL BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 — — US disclosed
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