SCHEMBL8022041

SCHEMBL8022041

O=C1NC(=S)NC(=O)C1=Cc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
GAA P10253 1/20 0.70
MAPT P10636 1/20 0.70
NTSR1 P30989 1/20 0.70
KMT2A Q03164 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
PPARG P37231 3/20 0.57
METAP1 P53582 2/20 0.55
SIRT2 Q8IXJ6 4/20 0.52
SIRT1 Q96EB6 3/20 0.52
SIRT5 Q9NXA8 3/20 0.52
SIRT3 Q9NTG7 2/20 0.52
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
GSK3B P49841 1/20 0.46

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
SCHEMBL16712246 0.86 MAPK1 (0.63) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL29323764 0.82 MEN1 (1.00) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4037782 0.77 METAP1 (0.76) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL15421462 0.75 METAP1 (0.73) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL10134156 0.75 SIRT2 (0.69) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL16712247 0.74 METAP1 (0.66) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL14281294 0.74 MEN1 (0.71) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL10095183 0.74 METAP1 (0.65) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL14306896 0.72 MEN1 (0.68) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL12865929 0.72 ALDH1A1 (0.66) MAPK1KDM4EMEN1ALDH1A1LMNA

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
WO-2000052100-A1 AGENTS FOR COLOURING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2000-09-08 WO disclosed