SCHEMBL1230451

SCHEMBL1230451

CCCCC(N)C(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TTR P02766 3/20 0.42
▸ ALPG P10696 1/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM4 Q14833 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
SCHEMBL712246 0.88 MMP2 (0.46) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL6129748 0.83 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL20548070 0.83 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL10616262 0.81 MEN1 (0.49) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL27744454 0.81 MEN1 (0.49) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL27988647 0.80 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPTKDM4E
SCHEMBL27765393 0.79 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL27768435 0.78 BCL9 (0.62) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL10071375 0.78 TTR (0.50) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL31079528 0.77 ALDH1A1 (0.56) ALDH1A1TDP1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 — — US claimed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 — — EP claimed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 — — US claimed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 — — EP claimed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 — — WO claimed
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 — — US disclosed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 — — EP disclosed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 — — US disclosed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 — — EP disclosed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 — — WO disclosed
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