SCHEMBL12520177

SCHEMBL12520177

Cc1cc2c(cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.52
ALDH1A1 P00352 4/20 0.45
GPR35 Q9HC97 3/20 0.45
S100A4 P26447 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT6 P42226 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
PTPRC P08575 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HPRT1 P00492 1/20 0.40
MAPT P10636 4/20 0.39

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
SCHEMBL3207925 0.89 HKDC1 (0.55) HKDC1ALDH1A1GPR35S100A4TRPV1
SCHEMBL8569104 0.82 HKDC1 (0.50) HKDC1ALDH1A1GPR35S100A4TRPV1
SCHEMBL9334017 0.82 ALDH1A1 (0.58) ALDH1A1GPR35S100A4MAPK1CYP1A2
SCHEMBL29435119 0.82 HKDC1 (0.65) HKDC1ALDH1A1GPR35S100A4TRPV1
SCHEMBL74588 0.82 HKDC1 (0.65) HKDC1ALDH1A1GPR35S100A4TRPV1
SCHEMBL12396393 0.80 HKDC1 (0.59) HKDC1ALDH1A1GPR35S100A4MAPK1
SCHEMBL6924564 0.80 PTPRC (0.58) HKDC1ALDH1A1GPR35S100A4TRPV1
SCHEMBL29413355 0.80 S100A4 (0.62) HKDC1ALDH1A1GPR35S100A4TRPV1
SCHEMBL55362 0.80 S100A4 (0.62) HKDC1ALDH1A1GPR35S100A4TRPV1
SCHEMBL11518981 0.78 S100A4 (0.61) HKDC1ALDH1A1GPR35S100A4TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696053-B1 NANO-ARRAY ELECTRODE MANUFACTURING METHOD AND PHOTOELECTRIC CONVERTER USING SAME NIPPON OIL CORP (JP) 2012-12-05 EP disclosed
US-7977131-B2 Method for manufacturing nano-array electrode and photoelectric conversion device using same NIPPON OIL CORPORATION (JP) 2011-07-12 US disclosed
US-20100132772-A1 METHOD FOR MANUFACTURING NANO-ARRAY ELECTRODE AND PHOTOELECTRIC CONVERSION DEVICE USING SAME NIPPON OIL CORPORATION (JP) 2010-06-03 US disclosed