SCHEMBL9743247

SCHEMBL9743247

N#Cc1cccc(CN2CCSC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
FAAH O00519 1/20 0.44
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CLPP Q16740 2/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1D P25100 1/20 0.40
KCNJ1 P48048 1/20 0.40

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
SCHEMBL9743824 0.82 ALDH1A1 (0.44) CYP19A1ALDH1A1KCNJ1KCNH2
SCHEMBL7359643 0.81 CYP19A1 (0.52) SIRT2SIRT1ROCK2ROCK1L3MBTL1
SCHEMBL26357090 0.78 POLB (0.64) SIRT2SIRT1ROCK2ROCK1L3MBTL1
SCHEMBL4182979 0.77 MAPK1 (0.57) L3MBTL1ALDH1A1HPGD
SCHEMBL7416317 0.76 SIRT2 (0.46) SIRT2SIRT1ROCK2ROCK1L3MBTL1
SCHEMBL29809178 0.76 L3MBTL1 (0.54) SIRT2SIRT1ROCK2ROCK1L3MBTL1
SCHEMBL7424115 0.76 L3MBTL1 (0.54) SIRT2SIRT1ROCK2ROCK1L3MBTL1
SCHEMBL9742340 0.75 KDM4E (0.54) ROCK2ROCK1ALDH1A1KCNH2
SCHEMBL3906515 0.75 SLC6A2 (0.47) SIRT2SIRT1ROCK2ROCK1L3MBTL1
Hydrochloric Acid SCHEMBL6886546 0.74 SLC6A2 (0.46) SIRT2SIRT1ROCK2ROCK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169859-A Antisecretory or antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1992-12-08 US disclosed
WO-1991008203-A1 NOVEL THIAZOLIDINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO disclosed