SCHEMBL7198643

SCHEMBL7198643

COc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TLR9 Q9NR96 1/20 0.50
▸ PSMD14 O00487 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ APP P05067 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 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
SCHEMBL3654726 0.89 KMT2A (0.54) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3654723 0.89 KMT2A (0.54) KMT2AMEN1RAB9ANPC1MAPT
Nitrogen SCHEMBL4015127 0.86 KMT2A (0.52) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL17787274 0.85 MEN1 (0.50) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL13758738 0.84 MEN1 (0.63) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL17787278 0.84 MEN1 (0.63) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL13101803 0.83 MEN1 (0.72) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3284435 0.83 MEN1 (0.72) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3284432 0.83 MEN1 (0.72) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL14823076 0.83 MEN1 (0.50) KMT2AMEN1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013037404-A1 PHOTOREFRACTIVE COMPOSITE Westfälische Wilhelms Universität Münster (DE) 2013-03-21 — — WO claimed
WO-2003010607-A2 ELECTROOPTICAL PHOTOSENSITIVE MATERIAL AND METHOD OF FABRICATION PRAGMATIC VISION INTERNATIONAL (US) 2003-02-06 — — WO claimed
WO-2013037404-A1 PHOTOREFRACTIVE COMPOSITE Westfälische Wilhelms Universität Münster (DE) 2013-03-21 — — WO disclosed
WO-2003010607-A2 ELECTROOPTICAL PHOTOSENSITIVE MATERIAL AND METHOD OF FABRICATION PRAGMATIC VISION INTERNATIONAL (US) 2003-02-06 — — WO disclosed
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