SCHEMBL6634904

SCHEMBL6634904

N=C(ONC(=O)c1ccccc1)ONC(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
POLB P06746 2/20 0.70
MAPT P10636 2/20 0.70
KMT2A Q03164 1/20 0.70
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
GAA P10253 1/20 0.48

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
SCHEMBL10424594 0.84 ALDH1A1 (0.73) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL27693699 0.83 ALDH1A1 (0.66) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL5809526 0.83 ALDH1A1 (1.00) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL2310273 0.81 ALDH1A1 (0.68) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL11146599 0.81 ALDH1A1 (0.96) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL27411500 0.80 KMT2A (0.61) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL11497918 0.79 ALDH1A1 (0.65) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL27556286 0.79 ALDH1A1 (0.66) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL13479831 0.79 ALDH1A1 (0.66) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL2312672 0.78 ALDH1A1 (0.63) ALDH1A1POLBMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934303-B1 COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORP (US) 2004-12-29 EP disclosed
EP-0927178-B1 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORP (US) 2002-02-27 EP disclosed
US-5958890-A ANTITUMOR SCHERING CORPORATION (US) 1999-09-28 US disclosed
EP-0934303-A2 COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-08-11 EP disclosed
US-5861395-A ENZYME INHIBITORS FOR BREAST TUMOR CELLS SCHERING CORPORATION (US) 1999-01-19 US disclosed
WO-1998011091-A2 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed