SCHEMBL8414778

SCHEMBL8414778

COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(N)=S)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.67
CHEK1 O14757 1/20 0.66
PIM1 P11309 1/20 0.66
MAPK8 P45983 1/20 0.66
CLK4 Q9HAZ1 1/20 0.66
ALDH1A1 P00352 1/20 0.65
NPSR1 Q6W5P4 1/20 0.64
PKM P14618 1/20 0.61
F10 P00742 2/20 0.59
POLB P06746 2/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.58
TOP1 P11387 1/20 0.57
MEN1 O00255 2/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
NR1H4 Q96RI1 1/20 0.56

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
SCHEMBL11244161 0.90 PDE4D (0.81) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL8417461 0.88 KMT2A (0.64) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL7413404 0.88 KMT2A (0.64) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL7411534 0.86 POLB (0.65) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL7408481 0.86 POLB (0.65) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL8414780 0.85 ALDH1A1 (0.58) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL7411821 0.85 ALDH1A1 (0.58) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL7407418 0.85 F10 (0.79) ALDH1A1F10POLBKMT2AMEN1
SCHEMBL13576585 0.84 PDE4D (0.76) PDE4DCHEK1PIM1MAPK8CLK4
SCHEMBL7409499 0.84 MEN1 (0.61) F10POLBKMT2ATOP1MEN1

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
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed