SCHEMBL6168870

SCHEMBL6168870

COc1ccc(N2C(=O)C(C)(c3ccc(Oc4ccccc4)cc3)NC2=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
PSMB5 P28074 2/20 0.45
MAPT P10636 3/20 0.44
CNR1 P21554 1/20 0.43
LTA4H P09960 1/20 0.43
PGR P06401 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
NTRK1 P04629 1/20 0.41

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) GAAPSMB5CNR1MGLLALDH1A1
SCHEMBL6170930 0.89 HSD11B1 (0.44) GAAMAPTPGRMGLLALDH1A1
SCHEMBL6169535 0.89 HSD17B3 (0.45) GAAMAPTLTA4HMGLLALDH1A1
SCHEMBL6169738 0.89 CNR1 (0.43) GAACNR1LTA4HMGLLALDH1A1
SCHEMBL6168079 0.86 LMNA (0.47) MAPTCNR1MGLLALDH1A1KDM4E
SCHEMBL6168712 0.86 CNR1 (0.46) GAAPSMB5MAPTCNR1PGR
SCHEMBL6168135 0.85 LMNA (0.49) GAAPSMB5MAPTALDH1A1RAB9A
SCHEMBL6168455 0.82 PGR (0.41) GAAPSMB5CNR1PGRMGLL
SCHEMBL6167462 0.82 CNR1 (0.41) GAAPSMB5CNR1MGLLALDH1A1
SCHEMBL6170632 0.81 ALDH1A1 (0.46) GAAMAPTALDH1A1SMN1; SMN2MMP13

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