SCHEMBL27907261

SCHEMBL27907261

CCC=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.51
HSP90AA1 P07900 1/20 0.48
TDP1 Q9NUW8 3/20 0.41
PTPRC P08575 2/20 0.41
S100A4 P26447 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5280879 0.78 HPRT1 (0.61) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL2935368 0.78 HPRT1 (0.61) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL9151875 0.77 HPRT1 (0.50) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL9151872 0.77 HPRT1 (0.50) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL11355088 0.76 HPRT1 (0.58) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL29413355 0.75 S100A4 (0.62) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL7697682 0.75 S100A4 (0.68) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL55362 0.75 S100A4 (0.62) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL11518981 0.74 S100A4 (0.61) HPRT1HSP90AA1TDP1PTPRCS100A4
SCHEMBL3149878 0.74 HPRT1 (0.58) HPRT1HSP90AA1TDP1PTPRCS100A4

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
CN-103159792-A Photorefractive composite, spatial light modulator, and hologram display device using the same SAMSUNG ELECTRONICS CO LTD 2013-06-19 CN disclosed