SCHEMBL11149431

SCHEMBL11149431

O=[N+]([O-])c1ccc(OCC(O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ HSPB1 P04792 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ GPR35 Q9HC97 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TTR P02766 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL11665258 0.93 KMT2A (0.48) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11665102 0.91 L3MBTL1 (0.49) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11154930 0.91 ALDH1A1 (0.52) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11665361 0.89 KMT2A (0.44) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11664180 0.89 KMT2A (0.44) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11665833 0.89 KMT2A (0.46) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11664059 0.88 MAPT (0.49) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11665359 0.88 KMT2A (0.47) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL7907598 0.87 MEN1 (0.48) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL11665104 0.85 NPC1 (0.51) KMT2AMEN1MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036591-B1 COUPLER COMPONENTS FOR OXIDATION HAIR DYES, THEIR PREPARATION AND USE, AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1983-11-16 — — EP disclosed
US-4371370-A Oxidation hair dyes comprising bis-(2,4-diaminophenoxy)-alkanols as coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-02-01 — — US disclosed
EP-0036591-A1 Coupler components for oxidation hair dyes, their preparation and use, and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-09-30 — — EP disclosed
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