SCHEMBL4722367

SCHEMBL4722367

O=c1c2ccccc2c(-c2cccc3ccoc23)nn1-c1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.59
HTT P42858 2/20 0.59
HTR6 P50406 1/20 0.59
NPSR1 Q6W5P4 6/20 0.54
LMNA P02545 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALDH1A1 P00352 6/20 0.51
POLB P06746 1/20 0.51
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4720519 0.91 MAPT (0.61) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721040 0.85 MAPT (0.64) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4720975 0.85 NPSR1 (0.64) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4723887 0.85 MAPT (0.55) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721362 0.85 MAPT (0.56) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721356 0.84 MAPT (0.62) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4722376 0.84 MAPT (0.60) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4723512 0.84 MAPT (0.62) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721141 0.83 MAPT (0.55) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4722112 0.83 MAPT (0.67) MAPTHTTHTR6NPSR1LMNA

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