SCHEMBL4720311

SCHEMBL4720311

O=C(O)c1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
NPSR1 Q6W5P4 4/20 0.63
LMNA P02545 3/20 0.63
GAA P10253 2/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
HTT P42858 2/20 0.55
HTR6 P50406 1/20 0.55
HPGD P15428 1/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP6 P55212 1/20 0.44
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42
ALOX5 P09917 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
SCHEMBL4722447 0.91 MAPT (0.61) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4721037 0.91 NPSR1 (0.72) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4723874 0.89 MAPT (0.59) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4719235 0.86 MAPT (0.55) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4724164 0.84 NPSR1 (0.83) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4724101 0.84 MAPT (0.65) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4724747 0.83 NPSR1 (0.74) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL14102065 0.83 NPSR1 (0.58) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4721601 0.83 MAPT (0.70) MAPTNPSR1LMNAGAAKMT2A
SCHEMBL4722207 0.82 MAPT (0.60) MAPTNPSR1LMNAGAAKMT2A

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