SCHEMBL8901944

SCHEMBL8901944

CCOC(=S)c1[nH]c(CC)nc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA1 P30542 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA2A P29274 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
DDAH1 O94760 1/20 0.30

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
SCHEMBL8903726 0.86 MAPK1 (0.35) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL8971528 0.83 ALDH1A1 (0.37) ALDH1A1HPGD
SCHEMBL3027865 0.79 ALDH1A1 (0.50) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL829468 0.78 TP53 (0.36) TP53L3MBTL1ADORA1ADORA3ADORA2A
SCHEMBL4361446 0.78 TP53 (0.36) TP53L3MBTL1ADORA1ADORA3ADORA2A
Potassium Ion SCHEMBL4148709 0.76 TP53 (0.35) TP53L3MBTL1ADORA1ADORA3ADORA2A
SCHEMBL7885590 0.76 ALDH1A1 (0.44) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL2778487 0.72 TP53 (0.44) TP53L3MBTL1ADORA1ADORA3ADORA2A
SCHEMBL11051317 0.72 TP53 (0.40) TP53L3MBTL1ADORA1ADORA3ADORA2A
SCHEMBL4607159 0.71 LMNA (0.41) TP53L3MBTL1KDM4EALDH1A1HPGD

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
US-5604251-A Imidazole derivatives with a biphenylsulfonylurea or biphenylsulfonylurethane side chain and their use as angitensin II receptors HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-18 US disclosed