SCHEMBL28836799

SCHEMBL28836799

CC(=O)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.55
ALDH1A1 P00352 7/20 0.54
GAA P10253 3/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 5/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL3635385 0.91 ALDH1A1 (0.65) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL12225198 0.89 ALDH1A1 (0.48) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL405926 0.89 ALDH1A1 (0.48) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL27883929 0.89 ALDH1A1 (0.48) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL11183780 0.85 ALDH1A1 (0.45) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL5902062 0.84 GAA (0.50) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL6488967 0.80 ALDH1A1 (0.49) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL1285514 0.80 MAPT (0.56) GPR35ALDH1A1GAAHPGDMAPT
SCHEMBL10620941 0.80 SMN1; SMN2 (0.52) ALDH1A1GAAHPGDMAPTKDM4E
SCHEMBL9185883 0.79 KMT2A (0.56) GPR35ALDH1A1MAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106069689-A A kind of soilless culture of flowers device and method of work thereof 徐州工程学院 2016-11-09 CN claimed
CN-106069689-A A kind of soilless culture of flowers device and method of work thereof 徐州工程学院 2016-11-09 CN disclosed