SCHEMBL5707694

SCHEMBL5707694

O=C1C(=O)N(CNCCS(=O)(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 12/20 0.53
▸ BCHE P06276 7/20 0.53
▸ TGM2 P21980 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ ALDH2 P05091 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ ALDH3A1 P30838 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
SCHEMBL4624446 0.84 CES1 (0.57) CES1BCHETGM2ALDH1A1MEN1
SCHEMBL4625168 0.80 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH2
SCHEMBL4624385 0.80 CES1 (0.57) CES1BCHETGM2ALDH1A1MEN1
SCHEMBL4627352 0.78 CES1 (0.51) CES1BCHETGM2ALDH1A1MEN1
SCHEMBL4625539 0.78 CES1 (0.67) CES1BCHETGM2ALDH1A1ALDH2
SCHEMBL4625381 0.77 CES1 (0.56) CES1BCHETGM2ALDH1A1MEN1
SCHEMBL4625824 0.77 CES1 (0.44) CES1BCHETGM2ALDH1A1NPSR1
SCHEMBL6262529 0.73 CES1 (0.65) CES1BCHETGM2ALDH1A1MEN1
SCHEMBL1426402 0.71 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH2
SCHEMBL7300297 0.71 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1705227-A2 New dyestuffs and colorants with specific carbonyl compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2006-09-27 — — EP claimed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 — — EP claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 — — WO claimed
US-6203579-B1 MIXTURE OF ISATIN DERIVATIVE AND AMINO COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-20 — — US claimed
EP-1705227-A2 New dyestuffs and colorants with specific carbonyl compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2006-09-27 — — EP disclosed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 — — EP disclosed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 — — WO disclosed
EP-0873745-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 — — EP disclosed
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