SCHEMBL8566920

SCHEMBL8566920

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
PKM P14618 3/20 0.46
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42

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
SCHEMBL31352300 1.00 KMT2A (0.57) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL4018126 0.87 KMT2A (0.60) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL5952645 0.84 KMT2A (0.59) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL9739647 0.83 MAPT (0.57) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL4852458 0.82 KMT2A (0.54) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL3870630 0.82 MAPT (0.56) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL20718790 0.82 MAPT (0.56) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL7203391 0.82 KMT2A (0.56) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL29511376 0.82 KMT2A (0.56) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL11539572 0.81 MAPT (0.61) KMT2ANPSR1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
US-5112824-A Benzofurazan compounds MERCK & CO., INC. (US) 1992-05-12 US disclosed
US-5032604-A Class III antiarrhythmic agents MERCK & CO., INC. (US) 1991-07-16 US disclosed
EP-0431944-A2 Benzofurazan derivatives having antiarrhythmic properties MERCK & CO. INC. (US) 1991-06-12 EP disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP disclosed