SCHEMBL8347607

SCHEMBL8347607

CC(=O)COc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.43
ELANE P08246 1/20 0.43
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
TPMT P51580 1/20 0.36

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
SCHEMBL1935934 0.81 ALDH1A1 (0.44) GPR35ALDH1A1HTTNPC1MAPK1
SCHEMBL8345656 0.80 GPR35 (0.44) CD69ELANEGPR35ALDH1A1HTT
SCHEMBL11241133 0.78 MAPT (0.47) GPR35ALDH1A1HTTNPC1MAPK1
SCHEMBL8350127 0.78 GPR35 (0.41) CD69ELANEGPR35ALDH1A1HTT
SCHEMBL25874904 0.78 ALDH1A1 (0.44) GPR35ALDH1A1HTTNPC1MAPK1
SCHEMBL15851025 0.78 GPR35 (0.41) GPR35ALDH1A1HTTNPC1MAPK1
SCHEMBL28075474 0.76 ALDH1A1 (0.46) GPR35ALDH1A1HTTNPC1MAPK1
SCHEMBL10835437 0.75 MAPT (0.39) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL689862 0.75 ALDH1A1 (0.54) GPR35ALDH1A1HTTNPC1MAPK1
SCHEMBL28295087 0.75 ALDH1A1 (0.44) ELANEGPR35ALDH1A1HTTNPC1

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-5981800-A Preparation process for 4-substituted dinitroanilines CFPI AGRO (FR) 1999-11-09 US disclosed