SCHEMBL6168712

SCHEMBL6168712

CC1(c2ccc(Oc3ccc(F)cc3)cc2)NC(=S)N(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
DRD2 P14416 5/20 0.41
HTR7 P34969 5/20 0.41
HTR1A P08908 4/20 0.41
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PSMB5 P28074 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
MGLL Q99685 1/20 0.37
GRK5 P34947 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PGR P06401 1/20 0.36

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
SCHEMBL6167711 0.93 CNR1 (0.50) CNR1MMP2MMP3MMP9MMP8
SCHEMBL6170930 0.89 HSD11B1 (0.44) DRD2HTR7HTR1AALDH1A1MEN1
SCHEMBL6168455 0.89 PGR (0.41) CNR1DRD2HTR7HTR1AMMP2
SCHEMBL6168870 0.86 GAA (0.46) CNR1MMP2MMP3MMP9MMP8
SCHEMBL6169738 0.85 CNR1 (0.43) CNR1MMP2MMP3MMP9MMP8
SCHEMBL7481341 0.83 CNR1 (0.55) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6168079 0.82 LMNA (0.47) CNR1MMP2MMP3MMP9MMP8
SCHEMBL6167462 0.82 CNR1 (0.41) CNR1MMP2MMP3MMP9MMP8
SCHEMBL6169535 0.78 HSD17B3 (0.45) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6170632 0.76 ALDH1A1 (0.46) MMP13ALDH1A1MAPTGAADYRK1B

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
EP-1546111-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2005-06-29 EP disclosed
WO-2004031160-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-04-15 WO disclosed