SCHEMBL7551286

SCHEMBL7551286

CCc1cn(OC(CO)CO)c([N+](=O)[O-])n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL295805 0.76 MITF (0.34) MITFALDH1A1
SCHEMBL10386779 0.67 MITF (0.39) MITFALDH1A1HTTL3MBTL1
SCHEMBL1978138 0.63 MAPT (0.38) MITFALDH1A1HTTL3MBTL1
SCHEMBL10962407 0.61 ATM (0.37) MITFALDH1A1HTTL3MBTL1PKM
SCHEMBL28888792 0.59 MITF (0.51) MITFALDH1A1HTTL3MBTL1
SCHEMBL15899138 0.59 MITF (0.34) MITF
SCHEMBL5050584 0.57 LMNA (0.49) MITFALDH1A1HTT
SCHEMBL3303223 0.56 MITF (0.55) MITFALDH1A1PKM
SCHEMBL3504600 0.55 ALDH1A1 (0.68) MITFALDH1A1PKM
SCHEMBL13981769 0.55 ALDH1A1 (0.35) MITFALDH1A1HTTL3MBTL1

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-1218351-A2 NITROIMIDAZOLE DERIVATIVE AND DIAGNOSTIC IMAGING AGENT CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-03 EP disclosed
WO-2001019799-A2 NITROIMIDAZOLE DERIVATIVE AND DIAGNOSTIC IMAGING AGENT CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-03-22 WO disclosed