SCHEMBL9861419

SCHEMBL9861419

O=C(ON1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
HPGD P15428 4/20 0.53
GAA P10253 1/20 0.53
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
ALOX5 P09917 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.46
POLB P06746 3/20 0.44
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL5062317 1.00 ALDH1A1 (0.53) ALDH1A1MAPTHPGDGAAPTPN2
SCHEMBL27622256 0.78 PTPN2 (0.50) ALDH1A1MAPTHPGDGAAPTPN2
SCHEMBL27182236 0.76 L3MBTL1 (0.71) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL10971455 0.75 PTPN2 (0.49) ALDH1A1MAPTHPGDGAAPTPN2
SCHEMBL3909838 0.75 ALDH1A1 (0.55) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL28988328 0.74 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL7648958 0.74 CYP3A4 (0.61) GAAPTPN2PTPN1PTPN6PTPN11
SCHEMBL6427641 0.74 CYP3A4 (0.61) GAAPTPN2PTPN1PTPN6PTPN11
SCHEMBL10590844 0.74 MEN1 (0.50) ALDH1A1MAPTHPGDGAAPTPN2
SCHEMBL13539432 0.73 L3MBTL1 (0.73) ALDH1A1MAPTHPGDGAASMN1; SMN2

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
US-5011875-A Ethylene-propylene terpolymer, water absorbent, and corrosion inhibitor; useds for gaskets, sealants and caulking material HIROSHIMA KASEI LTD. (JP) 1991-04-30 US disclosed