SCHEMBL8405075

SCHEMBL8405075

CCOc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
PTGES O14684 3/20 0.44
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESPL1 Q14674 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3248506 0.90 MAPT (0.44) MAPTLMNAALDH1A1PTGESGAA
SCHEMBL310334 0.87 MAPT (0.46) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL311208 0.87 MAPT (0.46) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL17543791 0.85 MAPT (0.45) MAPTLMNAALDH1A1GAAATM
SCHEMBL31415301 0.85 MAPT (0.42) MAPTLMNAALDH1A1PTGESGAA
SCHEMBL20987168 0.85 MAPT (0.51) MAPTLMNAALDH1A1PTGESATM
SCHEMBL4303561 0.85 MAPT (0.42) MAPTLMNAALDH1A1GAAESPL1
SCHEMBL31434942 0.85 MAPT (0.45) MAPTLMNAALDH1A1GAAATM
SCHEMBL9863069 0.84 MAPT (0.50) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL29739370 0.83 MAPT (0.43) MAPTLMNAALDH1A1PTGESGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686043-B1 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1999-06-23 EP disclosed
EP-0686043-A4 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1996-04-17 EP disclosed
US-5496546-A INHIBITORS OF RIBONUCLEASE OF TRANSCRIPTASE Wang, Jui H. (US) 1996-03-05 US disclosed
EP-0686043-A1 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG, Jui, H. (US) 1995-12-13 EP disclosed
WO-1994019012-A2 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1994-09-01 WO disclosed