SCHEMBL8401202

SCHEMBL8401202

O=C(Nc1ccccc1)c1ccc2c(N=Nc3ccc(Oc4ccc(N=Nc5c(O)c(C(=O)Nc6ccccc6)cc6cc(C(=O)Nc7ccccc7)ccc56)cc4)cc3)c(O)c(C(=O)Nc3ccccc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.64
▸ PGR P06401 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.46
▸ STK39 Q9UEW8 1/20 0.46
▸ PLAU P00749 3/20 0.44
▸ PNLIP P16233 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 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
SCHEMBL7049279 0.94 NQO2 (0.71) NQO2PLAUMEN1KMT2ANPC1
SCHEMBL14460170 0.92 NQO2 (0.70) NQO2PLAUMEN1KMT2ANPC1
SCHEMBL7051391 0.88 NQO2 (0.64) NQO2NR1H4PLAUMEN1KMT2A
SCHEMBL8397459 0.87 NQO2 (0.63) NQO2MEN1KMT2AMAPTHTT
SCHEMBL8483847 0.85 STK39 (0.50) NQO2PGRSTK39PNLIPMEN1
SCHEMBL7049309 0.84 NQO2 (0.59) NQO2PLAUMEN1KMT2ANPC1
SCHEMBL7049501 0.83 NQO2 (0.58) NQO2PLAUMEN1KMT2ANPC1
SCHEMBL13111427 0.81 NQO2 (0.80) NQO2PLAUMEN1KMT2ANPC1
SCHEMBL27512683 0.81 NQO2 (0.79) NQO2PLAUMEN1KMT2ANPC1
SCHEMBL2630605 0.81 NQO2 (0.79) NQO2PLAUMEN1KMT2ANPC1

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
US-5965715-A Bisazo compounds and process for the preparation thereof KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1999-10-12 — — US disclosed
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