SCHEMBL7408481

SCHEMBL7408481

COc1ccc(C(=O)Nc2ncccc2NC(=O)c2ccc(C(N)=S)cc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
PDE4D Q08499 3/20 0.55
CHEK1 O14757 1/20 0.53
PIM1 P11309 1/20 0.53
MAPK8 P45983 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
OPRK1 P41145 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
ADORA3 P0DMS8 1/20 0.51
MEN1 O00255 2/20 0.50
PKM P14618 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL7411534 1.00 POLB (0.65) POLBLMNAMAPTPDE4DCHEK1
SCHEMBL7410267 0.87 F10 (0.57) POLBLMNAMAPTALDH1A1TDP1
SCHEMBL7411059 0.87 F10 (0.57) POLBLMNAMAPTALDH1A1TDP1
SCHEMBL8415828 0.87 RAB9A (0.51) MAPTTDP1MEN1KMT2ATP53
SCHEMBL8414778 0.86 PDE4D (0.67) POLBLMNAMAPTPDE4DCHEK1
SCHEMBL8417467 0.83 KMT2A (0.53) POLBLMNAMAPTPDE4DCHEK1
SCHEMBL8414166 0.83 CHEK1 (0.51) POLBLMNAMAPTPDE4DCHEK1
SCHEMBL8415821 0.81 KDM4E (0.53) POLBLMNAMAPTPDE4DCHEK1
SCHEMBL8415835 0.81 CHEK1 (0.51) POLBLMNAMAPTPDE4DCHEK1
SCHEMBL7411821 0.80 ALDH1A1 (0.58) POLBLMNAMAPTPDE4DCHEK1

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
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO claimed
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed