SCHEMBL5690176

SCHEMBL5690176

CC(c1ccccc1)C(NC(=O)C(F)(F)F)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PRCP P42785 3/20 0.37
MME P08473 3/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NR3C1 P04150 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
SCHEMBL5690889 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL5690295 0.79 ALDH1A1 (0.47) HDAC1ALDH1A1HTT
SCHEMBL5692026 0.76 HDAC4 (0.49) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL14040888 0.75 MEN1 (0.58) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL5219016 0.75 MEN1 (0.58) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL22499610 0.75 MEN1 (0.58) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL12039368 0.71 ADRA2C (0.53) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL9991697 0.71 ADRA2C (0.53) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL9854533 0.70 DPP4 (0.42) HDAC3HDAC4HDAC1HDAC6MEN1
SCHEMBL13225822 0.70 CTRB1 (0.42) HDAC3HDAC4HDAC1HDAC6MEN1

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
EP-1641740-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-04-05 EP disclosed
WO-2004103951-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 WO disclosed