SCHEMBL4722207

SCHEMBL4722207

CC(=O)Nc1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
NPSR1 Q6W5P4 4/20 0.60
LMNA P02545 3/20 0.60
GAA P10253 1/20 0.60
HTT P42858 2/20 0.55
HTR6 P50406 1/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.43
MCHR1 Q99705 1/20 0.43
FBP1 P09467 1/20 0.43

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
SCHEMBL4721484 0.93 MAPT (0.67) MAPTNPSR1LMNAGAAHTT
SCHEMBL4722394 0.87 MAPT (0.55) MAPTNPSR1LMNAGAAHTT
SCHEMBL4720311 0.82 MAPT (0.63) MAPTNPSR1LMNAGAAHTT
SCHEMBL4724747 0.81 NPSR1 (0.74) MAPTNPSR1LMNAGAAHTT
SCHEMBL4723874 0.81 MAPT (0.59) MAPTNPSR1LMNAGAAHTT
SCHEMBL4722447 0.81 MAPT (0.61) MAPTNPSR1LMNAGAAHTT
SCHEMBL4724164 0.80 NPSR1 (0.83) MAPTNPSR1LMNAGAAHTT
SCHEMBL4724101 0.80 MAPT (0.65) MAPTNPSR1LMNAGAAHTT
SCHEMBL14102059 0.80 NPSR1 (0.45) MAPTNPSR1LMNAGAAHTT
SCHEMBL4721037 0.78 NPSR1 (0.72) MAPTNPSR1LMNAGAAHTT

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 2 patents. 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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed