SCHEMBL6671270

SCHEMBL6671270

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.54
▸ ALDH1A1 P00352 6/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GAA P10253 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
SCHEMBL4416347 0.85 MAPT (0.56) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL3662903 0.82 ALDH1A1 (0.57) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL1466162 0.82 MEN1 (0.65) MAPTALDH1A1RECQLHSD17B10POLB
Ammonia Solution, Strong SCHEMBL28461881 0.80 MEN1 (0.63) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL3859485 0.78 ALDH1A1 (0.52) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL6365853 0.78 MAPT (0.51) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL12347503 0.77 MEN1 (0.59) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL10511966 0.77 MAPT (0.54) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL4696383 0.76 ALDH1A1 (0.53) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL10687645 0.75 MAPT (0.49) MAPTALDH1A1RECQLHSD17B10POLB

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-1455741-A2 NOVEL DEVELOPER COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 — — EP disclosed
WO-2003053370-A2 NOVEL DEVELOPER COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 — — WO disclosed
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