SCHEMBL4723324

SCHEMBL4723324

O=C(NO)c1cccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.61
HTT P42858 1/20 0.61
HTR6 P50406 1/20 0.61
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 5/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 7/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL4720277 0.91 MAPT (0.60) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719171 0.91 MAPT (0.66) MAPTHTTHTR6LMNAMEN1
SCHEMBL4724472 0.91 MAPT (0.59) MAPTHTTHTR6LMNAMEN1
SCHEMBL4724655 0.90 MAPT (0.65) MAPTHTTHTR6LMNAMEN1
SCHEMBL4720211 0.90 MAPT (0.62) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723605 0.89 MAPT (0.63) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723511 0.88 MAPT (0.64) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723050 0.87 MAPT (0.66) MAPTHTTHTR6LMNAMEN1
SCHEMBL4722215 0.87 MAPT (0.66) MAPTHTTHTR6LMNAMEN1
SCHEMBL4721225 0.87 MAPT (0.62) MAPTHTTHTR6LMNAMEN1

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