SCHEMBL5695446

SCHEMBL5695446

O=C1/C(=C\c2ccccc2[N+](=O)[O-])Nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.59
▸ HTT P42858 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ XDH P47989 2/20 0.54
▸ TYR P14679 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ MITF O75030 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP2 O95551 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ RPS6KA5 O75582 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ LYN P07948 1/20 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
SCHEMBL5695396 1.00 MAPT (0.59) MAPTHTTMEN1KMT2AHPGD
SCHEMBL3745130 0.80 RPS6KA3 (0.71) MAPTXDHTDP2CASP7CASP9
SCHEMBL19462942 0.79 MAPT (0.61) MAPTHTTMEN1KMT2AHPGD
SCHEMBL5695409 0.77 MAPT (0.62) MAPTHTTMEN1KMT2AHPGD
SCHEMBL5695429 0.77 MAPT (0.62) MAPTHTTMEN1KMT2AHPGD
SCHEMBL9094449 0.76 XDH (0.44) MAPTHTTMEN1KMT2AXDH
SCHEMBL5695444 0.76 TYR (0.74) MAPTHTTMEN1KMT2AHPGD
SCHEMBL29226048 0.76 NPC1 (0.63) MAPTHTTMEN1KMT2AHPGD
SCHEMBL22625308 0.76 MAPT (0.61) MAPTHTTMEN1KMT2AHPGD
SCHEMBL5695416 0.76 TYR (0.74) MAPTHTTMEN1KMT2AHPGD

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-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 — — EP claimed
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