SCHEMBL5695409

SCHEMBL5695409

O=C1C(=Cc2cccc([N+](=O)[O-])c2)Nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
HTT P42858 4/20 0.62
HPGD P15428 2/20 0.62
ALDH1A1 P00352 6/20 0.57
METAP1 P53582 1/20 0.54
LMNA P02545 3/20 0.54
NR1H4 Q96RI1 1/20 0.51
IGF1R P08069 1/20 0.51
APP P05067 2/20 0.49
SNCA P37840 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NFE2L2 Q16236 1/20 0.49
NPC1 O15118 2/20 0.48
HSP90AA1 P07900 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL5695429 1.00 MAPT (0.62) MAPTKMT2AMEN1HTTHPGD
SCHEMBL10847571 0.84 MAPT (0.81) MAPTKMT2AMEN1HTTHPGD
SCHEMBL10847566 0.84 MAPT (0.81) MAPTKMT2AMEN1HTTHPGD
SCHEMBL5470409 0.82 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1METAP1
SCHEMBL14448894 0.82 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1METAP1
SCHEMBL5470412 0.82 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1METAP1
SCHEMBL5695453 0.78 MAPT (1.00) MAPTKMT2AMEN1HTTHPGD
SCHEMBL30978010 0.78 MAPT (1.00) MAPTKMT2AMEN1HTTHPGD
SCHEMBL5695391 0.78 MAPT (1.00) MAPTKMT2AMEN1HTTHPGD
SCHEMBL22625264 0.78 MAPT (0.69) MAPTKMT2AMEN1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP claimed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP disclosed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed