SCHEMBL2769578

SCHEMBL2769578

CCN(CC[n+]1ccccc1)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.46
▸ MAPT P10636 13/20 0.39
▸ KMT2A Q03164 9/20 0.39
▸ MEN1 O00255 8/20 0.39
▸ LMNA P02545 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL2769580 1.00 KDR (0.46) KDRMAPTKMT2AMEN1LMNA
Bromide SCHEMBL2769938 0.99 KDR (0.46) KDRMAPTKMT2AMEN1LMNA
Bromide SCHEMBL2769935 0.99 KDR (0.46) KDRMAPTKMT2AMEN1LMNA
SCHEMBL15827073 0.87 KDR (0.54) KDRMAPTKMT2AMEN1LMNA
SCHEMBL11616761 0.86 KDR (0.53) KDRMAPTKMT2AMEN1LMNA
SCHEMBL2769405 0.86 KDR (0.63) KDRMAPTKMT2AMEN1LMNA
SCHEMBL2769400 0.86 KDR (0.63) KDRMAPTKMT2AMEN1LMNA
Iodide SCHEMBL10352304 0.85 KDR (0.62) KDRMAPTKMT2AMEN1LMNA
Iodide SCHEMBL10352303 0.85 KDR (0.62) KDRMAPTKMT2AMEN1LMNA
Bromide SCHEMBL2773473 0.85 KDR (0.62) KDRMAPTKMT2AMEN1LMNA

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
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 — — EP claimed
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