SCHEMBL4722514

SCHEMBL4722514

O=C(O)C1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
HTT P42858 2/20 0.74
HTR6 P50406 1/20 0.74
LMNA P02545 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 6/20 0.61
GAA P10253 2/20 0.61
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
ROCK1 Q13464 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SERPINE1 P05121 2/20 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
SCHEMBL4721650 0.91 MAPT (0.76) MAPTHTTHTR6LMNAMEN1
SCHEMBL4720022 0.88 MAPT (0.68) MAPTHTTHTR6LMNAMEN1
SCHEMBL4724178 0.88 MAPT (0.73) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723117 0.88 MAPT (0.83) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723139 0.87 MAPT (0.82) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719534 0.86 MAPT (0.75) MAPTHTTHTR6LMNAMEN1
SCHEMBL4721404 0.86 MAPT (0.75) MAPTHTTHTR6LMNAMEN1
SCHEMBL2481272 0.85 MAPT (1.00) MAPTHTTHTR6LMNAMEN1
SCHEMBL4721828 0.84 MAPT (0.72) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719322 0.84 MAPT (0.69) 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