SCHEMBL9821016

SCHEMBL9821016

CN(C)c1ccc(Nc2c([N+](=O)[O-])cc(OC(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.47
▸ LMNA P02545 4/20 0.47
▸ GAA P10253 3/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ BAZ1A Q9NRL2 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 3/20 0.41

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
SCHEMBL9821168 0.84 MEN1 (0.52) MAPTLMNAGAAAKR1C3AKR1C2
SCHEMBL9820960 0.84 MEN1 (0.52) MAPTLMNAGAAAKR1C3AKR1C2
SCHEMBL10629455 0.83 HCAR3 (0.52) MAPTLMNAGAAALDH3A1AKR1C3
SCHEMBL9821056 0.83 MAPT (0.47) MAPTLMNAGAAAKR1C3AKR1C2
SCHEMBL9820944 0.78 MAPT (0.44) MAPTLMNAGAAAKR1C3AKR1C2
SCHEMBL10631223 0.77 ALDH3A1 (0.57) MAPTLMNAGAAALDH3A1NPSR1
SCHEMBL15483224 0.73 MAPT (0.49) MAPTLMNAGAAALDH3A1KMT2A
SCHEMBL10643719 0.72 MAPT (0.45) MAPTLMNAGAAALDH3A1NPSR1
SCHEMBL1663522 0.71 MAPT (0.54) MAPTLMNAGAAALDH3A1NPSR1
SCHEMBL31743760 0.71 ALDH3A1 (0.47) MAPTLMNAGAAALDH3A1NPSR1

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-0220614-B1 DIRECT HAIR DYEING COMPOSITION CONTAINING DERIVATIVES OF NITRODIPHENYL AMINE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-01-23 — — EP disclosed
EP-0220614-A1 Direct hair dyeing composition containing derivatives of nitrodiphenyl amine Henkel Kommanditgesellschaft auf Aktien (DE) 1987-05-06 — — EP disclosed
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