SCHEMBL7124173

SCHEMBL7124173

C=CCSc1cc(SCC=C)c(N)c(CC=C)c1N

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9261128 0.90 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL7125299 0.87
SCHEMBL10585807 0.81 XDH (0.33) ALDH1A1HPGDTP53MEN1KMT2A
SCHEMBL7126308 0.77 GABRA1 (0.30)
SCHEMBL8770615 0.76 ALDH1A1 (0.40) ALDH1A1HPGDTP53MEN1KMT2A
SCHEMBL10584677 0.76 TP53 (0.33) TP53MEN1KMT2A
SCHEMBL10587168 0.75
SCHEMBL9262861 0.71 GABRA1 (0.33) TP53
SCHEMBL10839342 0.69 MAPT (0.36) ALDH1A1TP53
SCHEMBL28789107 0.69 GABRA1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265940-B1 AROMATIC AMINE CURATIVES AND THEIR USE ALBERMARLE CORP (US) 2004-10-27 EP disclosed
EP-1265940-B1 AROMATIC AMINE CURATIVES AND THEIR USE ALBERMARLE CORP (US) 2004-10-27 EP disclosed
US-6509434-B1 Condensation polymerization of alkylthiated mononuclear aromatic amines and isocyanate prepolymer to produce polyurethanes, polyureaurethanes and/or polyureas ALBEMARLE CORPORATION 2003-01-21 US disclosed
US-6509434-B1 Condensation polymerization of alkylthiated mononuclear aromatic amines and isocyanate prepolymer to produce polyurethanes, polyureaurethanes and/or polyureas ALBEMARLE CORPORATION 2003-01-21 US disclosed
EP-1265940-A2 AROMATIC AMINE CURATIVES AND THEIR USE Albermarle Corporation (US) 2002-12-18 EP disclosed
EP-1265940-A2 AROMATIC AMINE CURATIVES AND THEIR USE Albermarle Corporation (US) 2002-12-18 EP disclosed
WO-2001070841-A3 AROMATIC AMINE CURATIVES AND THEIR USE ALBERMARLE CORP (US) 2002-03-21 WO disclosed
WO-2001070841-A2 AROMATIC AMINE CURATIVES AND THEIR USE ALBEMARLE CORPORATION (US) 2001-09-27 WO disclosed
WO-2001070841-A2 AROMATIC AMINE CURATIVES AND THEIR USE ALBEMARLE CORPORATION (US) 2001-09-27 WO disclosed