SCHEMBL295235

SCHEMBL295235

Cc1cn(OC(CO)COC(=O)c2ccccc2)c([N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ADRB2 P07550 6/20 0.38
ADRB1 P08588 6/20 0.38
ADRB3 P13945 6/20 0.38
NSD2 O96028 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AGTR1 P30556 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PRKCA P17252 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
SCHEMBL10386779 0.79 MITF (0.39) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL295286 0.75 KMT2A (0.44) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL294590 0.71 CYP3A4 (0.44) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL9863399 0.69 ALDH1A1 (0.59) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL7551286 0.67 MITF (0.36) ALDH1A1L3MBTL1HTT
SCHEMBL3181495 0.67 ALDH1A1 (0.61) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL29964300 0.67 ALDH1A1 (0.61) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL12190885 0.67 CYP3A4 (0.47) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL21869784 0.66 ALDH1A1 (0.55) POLBHSD17B10ALDH1A1KMT2AMEN1
Ethylene SCHEMBL19616645 0.65 ALDH1A1 (0.57) POLBHSD17B10ALDH1A1KMT2AMEN1

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
EP-2128140-B1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2012-03-14 EP claimed