SCHEMBL9537223

SCHEMBL9537223

COc1cccc(NCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
CRHBP P24387 4/20 0.58
CRHR2 Q13324 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCB1 P08183 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL10549460 0.89 MAPT (0.51) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL3857819 0.86 PPIA (0.49) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL31210058 0.84 MAPT (0.57) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL26654780 0.82 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10842868 0.81 MAPT (0.60) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL2877032 0.80 GBA1 (0.57) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL3857097 0.79 MAPT (0.49) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL21685528 0.79 HSPB1 (0.49) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9537183 0.79 ALDH1A1 (0.55) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9537129 0.79 MAPT (0.60) MAPTMEN1KMT2ACRHBPCRHR2

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed