SCHEMBL14608745

SCHEMBL14608745

COc1cc(N=O)cc(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ POLB P06746 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ PTGS1 P23219 2/20 0.33

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
SCHEMBL5161298 0.73 MAPT (0.43) MAPTNPSR1ALDH1A1CYP3A4POLB
SCHEMBL30700955 0.73 ALDH1A1 (0.59) MAPTNPSR1ALDH1A1CYP3A4POLB
SCHEMBL29276996 0.73 ALDH1A1 (0.59) MAPTNPSR1ALDH1A1CYP3A4POLB
SCHEMBL11139031 0.73 ACHE (0.52) MAPTNPSR1ALDH1A1CYP3A4POLB
SCHEMBL30436671 0.73 ACHE (0.52) MAPTNPSR1ALDH1A1CYP3A4POLB
SCHEMBL11957899 0.73 ACHE (0.52) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL12154783 0.72 HTR3E (0.41) MEN1KMT2AMAPTHTR3EHTR3B
SCHEMBL13969472 0.72 KDM4E (0.45) MAPTALDH1A1POLBGAATSHR
Hydrochloric Acid SCHEMBL5428742 0.71 MAPT (0.46) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL16372580 0.71 TUBB4A (0.49) MEN1KMT2AMAPTNPSR1ALDH1A1

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
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 — — EP disclosed
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