SCHEMBL4720743

SCHEMBL4720743

O=Cc1cc(O)cc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.59
HTT P42858 2/20 0.59
HTR6 P50406 1/20 0.59
LMNA P02545 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 6/20 0.52
MAPK1 P28482 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 7/20 0.50
POLB P06746 1/20 0.50
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4721159 0.94 MAPT (0.64) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719551 0.90 MAPT (0.59) MAPTHTTHTR6LMNAMEN1
SCHEMBL4722417 0.90 MAPT (0.61) MAPTHTTHTR6LMNAMEN1
SCHEMBL4722600 0.90 MAPT (0.59) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719836 0.89 MAPT (0.64) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719885 0.88 MAPT (0.61) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723050 0.88 MAPT (0.66) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723810 0.87 MAPT (0.68) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719260 0.87 MAPT (0.65) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723948 0.85 MAPT (0.63) 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