SCHEMBL6385100

SCHEMBL6385100

CCCCCCCCCCC(=O)ONc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSTM2 P28161 2/20 0.52
▸ MEN1 O00255 10/20 0.50
▸ KMT2A Q03164 10/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GSTP1 P09211 1/20 0.49
▸ MYC P01106 6/20 0.47
▸ IDO1 P14902 4/20 0.47
▸ MAX P61244 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MIF P14174 1/20 0.43

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
SCHEMBL6762713 0.78 GSTM2 (0.57) GSTM2MEN1KMT2ANPC1RAB9A
SCHEMBL19400408 0.78 GSTM2 (0.77) GSTM2MEN1KMT2ANPC1RAB9A
SCHEMBL4666212 0.78 GSTM2 (0.77) GSTM2MEN1KMT2ANPC1RAB9A
SCHEMBL6759054 0.77 GSTM2 (0.56) GSTM2MEN1KMT2ANPC1RAB9A
SCHEMBL1696044 0.77 KMT2A (0.50) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL1875533 0.76 MAPT (0.60) POLBGAAL3MBTL1HTTMAPT
SCHEMBL31576805 0.76 GSTM2 (0.62) GSTM2MEN1KMT2AGSTP1MYC
SCHEMBL21783942 0.76 GSTM2 (0.56) GSTM2MEN1KMT2ANPC1RAB9A
SCHEMBL20721738 0.75 GSTM2 (0.51) GSTM2MEN1KMT2ANPC1RAB9A
SCHEMBL7830878 0.75 GSTM2 (0.61) GSTM2MEN1KMT2AMYCMAX

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-1599744-A2 SELF-INDICATING RADIATION ALERT DOSIMETER JP LABORATORIES, INC. (US) 2005-11-30 — — EP disclosed
WO-2004077097-A2 SELF-INDICATING RADIATION ALERT DOSIMETER JP LABORATORIES INC. (US) 2004-09-10 — — WO disclosed
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