SCHEMBL4721969

SCHEMBL4721969

CCOC(=O)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
DNMT1 P26358 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.46
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 3/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 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
SCHEMBL4722074 0.92 MAPT (0.44) MAPTALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL4720627 0.90 MAPT (0.49) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL4722827 0.90 MAPT (0.52) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL4725009 0.88 MAPT (0.47) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL4723012 0.88 MAPT (0.45) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL4724676 0.88 MAPT (0.46) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL4722671 0.87 MAPT (0.50) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL4724460 0.86 MAPT (0.50) MAPTALDH1A1TDP1POLBLMNA
SCHEMBL4721589 0.85 MAPT (0.47) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL4722538 0.85 MAPT (0.48) MAPTALDH1A1TDP1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed