SCHEMBL9537129

SCHEMBL9537129

COc1cc(NCc2ccccc2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CRHBP P24387 3/20 0.60
CRHR2 Q13324 3/20 0.60
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
ABCB1 P08183 2/20 0.60
ABCC1 P33527 1/20 0.57
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
HTR6 P50406 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52

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
SCHEMBL9538742 0.90 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL6816524 0.90 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL25258715 0.86 MAPT (0.52) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL10552169 0.86 HTR6 (0.54) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL2698732 0.86 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL6474847 0.82 HTR6 (0.58) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL2130528 0.82 MAPT (0.60) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL14166196 0.80 MAPT (0.63) MAPTMEN1KMT2AL3MBTL1CRHBP
SCHEMBL3449782 0.79 LMNA (0.51) MAPTL3MBTL1GAAHTTALDH1A1
SCHEMBL9537223 0.79 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1CRHBP

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