SCHEMBL11240607

SCHEMBL11240607

CC(=O)N(c1ccccc1O)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
THRB P10828 1/20 0.35
S100A4 P26447 1/20 0.34
GPR35 Q9HC97 1/20 0.34
KCNMA1 Q12791 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
FBP1 P09467 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CTSB P07858 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
TSPO P30536 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL6825300 0.76 ATM (0.42) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL11148838 0.75 ALDH1A1 (0.35) GAAMEN1KMT2AMAPTGPR35
SCHEMBL5083037 0.75 GPR35 (0.39) GAAMEN1KMT2AMAPTS100A4
SCHEMBL11565235 0.74 GAA (0.61) GAAMEN1KMT2AMAPTTHRB
SCHEMBL5373508 0.73 GPR35 (0.38) GAAMEN1KMT2AMAPTS100A4
SCHEMBL5536970 0.72 TSPO (0.55) GAAMAPTTHRBALDH1A1TDP1
SCHEMBL7616291 0.72 GPR35 (0.37) GAAMEN1KMT2AMAPTS100A4
SCHEMBL14956444 0.70 ESR1 (0.37) GAAMEN1KMT2AMAPTTHRB
SCHEMBL5738106 0.69 GAA (0.41) GAAMEN1KMT2AMAPTTHRB
SCHEMBL2522993 0.69 HTR1A (0.40) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011843-B1 DEVELOPING COMPONENTS FOR HAIR OXYDATION DYES, THEIR PREPARATION AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1982-09-15 EP disclosed
EP-0011844-B1 COUPLING COMPONENTS FOR OXIDIZING HAIR DYES, THEIR PREPARATION AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1982-05-26 EP disclosed
US-4231964-A Nitroamines, processes for their manufacture and their use as diazo components HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed
EP-0011843-A2 Developing components for hair oxydation dyes, their preparation and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-06-11 EP disclosed
EP-0011844-A1 Coupling components for oxidizing hair dyes, their preparation and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-06-11 EP disclosed