SCHEMBL3662903

SCHEMBL3662903

CC(O)(O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ RECQL P46063 1/20 0.57
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ ACHE P22303 1/20 0.52
▸ MAPT P10636 6/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ ALOX12 P18054 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8721720 0.90 PTGS2 (0.51) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL1466162 0.84 MEN1 (0.65) ALDH1A1HSD17B10RECQLKMT2AMEN1
Ammonia Solution, Strong SCHEMBL28461881 0.82 MEN1 (0.63) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL6671270 0.82 MAPT (0.54) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL4416347 0.80 MAPT (0.56) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL3859485 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL12347503 0.79 MEN1 (0.59) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL3155944 0.79 KMT2A (0.51) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL25278879 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B10RECQLKMT2AMEN1
SCHEMBL4696383 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B10RECQLKMT2AMEN1

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
EP-2225293-A2 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION *Acri. Tec GmbH (DE) 2010-09-08 — — EP disclosed
WO-2009074520-A2 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION *ACRI.TEC GMBH (DE) 2009-06-18 — — WO disclosed
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