SCHEMBL8773116

SCHEMBL8773116

CCN(CC)c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.53
HCAR3 P49019 2/20 0.51
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ESPL1 Q14674 1/20 0.41
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL9427812 0.90 ALDH3A1 (0.49) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL3110151 0.81 ALDH3A1 (0.54) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL10687975 0.78 ATM (0.53) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL14180498 0.76 TDP1 (0.55) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL6152063 0.76 ALDH1A1 (0.53) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL7545601 0.76 ALDH3A1 (0.46) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL24900630 0.75 ALDH3A1 (0.40) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL30221477 0.75 ALDH3A1 (0.40) ALDH3A1HCAR3ALDH1A1MAPK1MAPT
SCHEMBL45486 0.74 TDP1 (0.60) ALDH1A1MAPK1MAPTMEN1RAB9A
SCHEMBL9848594 0.74 MEN1 (0.56) ALDH3A1ALDH1A1MAPTMEN1RAB9A

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-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed