SCHEMBL4722839

SCHEMBL4722839

COc1cc(-c2ncco2)cc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.56
HTT P42858 1/20 0.56
HTR6 P50406 1/20 0.56
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 9/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4719972 0.94 MAPT (0.60) MAPTHTTHTR6LMNAMEN1
SCHEMBL4722878 0.92 MAPT (0.59) MAPTHTTHTR6LMNAMEN1
SCHEMBL4722897 0.90 MAPT (0.56) MAPTHTTHTR6LMNAMEN1
SCHEMBL4724941 0.90 MAPT (0.65) MAPTHTTHTR6LMNAMEN1
SCHEMBL4722525 0.88 MAPT (0.56) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719483 0.87 MAPT (0.59) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719885 0.86 MAPT (0.61) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719397 0.85 MAPT (0.56) MAPTHTTHTR6LMNAMEN1
SCHEMBL4721044 0.85 MAPT (0.66) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719291 0.85 MAPT (0.68) 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