SCHEMBL4721402

SCHEMBL4721402

O=c1c2ccccc2c(-c2cc(Br)cc(-c3cnco3)c2)nn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
NPSR1 Q6W5P4 5/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
AAK1 Q2M2I8 1/20 0.44
HTT P42858 1/20 0.44
HTR6 P50406 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL4722686 0.90 NPSR1 (0.65) MAPTNPSR1LMNAGAAAAK1
SCHEMBL4724738 0.86 MAPT (0.60) MAPTNPSR1LMNAGAAAAK1
SCHEMBL4720715 0.85 MAPT (0.46) MAPTNPSR1LMNAGAAAAK1
SCHEMBL4723562 0.85 MAPT (0.45) MAPTNPSR1LMNAGAAAAK1
SCHEMBL4721133 0.85 MAPT (0.56) MAPTNPSR1LMNAGAAHTT
SCHEMBL4719649 0.85 MEN1 (0.40) MAPTNPSR1LMNAGAAHTT
SCHEMBL4722439 0.85 MEN1 (0.43) MAPTNPSR1LMNAGAAHTT
SCHEMBL4719701 0.85 GAA (0.41) MAPTNPSR1LMNAGAAHTT
SCHEMBL4722264 0.84 MAPT (0.47) MAPTNPSR1LMNAGAAAAK1
SCHEMBL4719402 0.84 MAPT (0.44) MAPTNPSR1LMNAGAAAAK1

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