SCHEMBL6594902

SCHEMBL6594902

O=C(O)c1cc(N2CCCCC2)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MITF O75030 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 3/20 0.47
PKM P14618 2/20 0.47
TNNI3 P19429 2/20 0.46
TNNT2 P45379 2/20 0.46
TNNC1 P63316 2/20 0.46
CTSB P07858 1/20 0.46
AR P10275 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 3/20 0.44

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
SCHEMBL6594911 1.00 MAPT (0.58) MAPTSMN1; SMN2MITFHTTALDH1A1
SCHEMBL6080758 0.87 MAPT (0.54) MAPTSMN1; SMN2MITFHTTALDH1A1
SCHEMBL6604563 0.82 KDM4E (0.46) MAPTHTTALDH1A1L3MBTL1KDM4E
SCHEMBL6600666 0.81 NCF1 (0.49) MAPTALDH1A1L3MBTL1KDM4ETDP1
Hydrochloric Acid SCHEMBL6079350 0.81 KDM4E (0.44) MAPTHTTALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL6080392 0.80 NCF1 (0.48) MAPTHTTALDH1A1L3MBTL1KDM4E
SCHEMBL6590529 0.77 KMT2A (0.48) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL6080952 0.77 KMT2A (0.48) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL6591021 0.76 MEN1 (0.54) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL6591013 0.76 MEN1 (0.54) MAPTSMN1; SMN2HTTALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed