SCHEMBL4722497

SCHEMBL4722497

O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
NPSR1 Q6W5P4 7/20 0.61
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.53
HTR6 P50406 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 1/20 0.43
CA1 P00915 1/20 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
SCHEMBL4724747 0.90 NPSR1 (0.74) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL4721662 0.86 NPSR1 (0.63) MAPTNPSR1LMNAGAAHTT
SCHEMBL22721748 0.80 MEN1 (0.68) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL29539469 0.80 MEN1 (0.68) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL9225993 0.77 NPSR1 (0.82) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL4721647 0.76 MAPT (0.76) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL4724101 0.76 MAPT (0.65) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL4724164 0.76 NPSR1 (0.83) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL4719497 0.76 NPSR1 (1.00) MAPTNPSR1LMNAGAAKDM4E
SCHEMBL4723180 0.76 NPSR1 (0.76) MAPTNPSR1LMNAGAAKDM4E

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