SCHEMBL8414166

SCHEMBL8414166

COc1ccc(C(=O)Nc2ncc(C(=O)O)cc2NC(=O)c2ccc(C(N)=S)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
PIM1 P11309 1/20 0.51
MAPK8 P45983 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
POLB P06746 2/20 0.48
BRD4 O60885 1/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
PDE4D Q08499 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL8417467 0.92 KMT2A (0.53) CHEK1PIM1MAPK8CLK4POLB
SCHEMBL7411939 0.89 MEN1 (0.60) KMT2AMAPTHDAC1HDAC8HDAC6
SCHEMBL7413404 0.85 KMT2A (0.64) CHEK1PIM1MAPK8CLK4KMT2A
SCHEMBL8417461 0.85 KMT2A (0.64) CHEK1PIM1MAPK8CLK4KMT2A
SCHEMBL7408481 0.83 POLB (0.65) CHEK1PIM1MAPK8CLK4POLB
SCHEMBL7411534 0.83 POLB (0.65) CHEK1PIM1MAPK8CLK4POLB
SCHEMBL7460237 0.82 NR1H4 (0.47) KMT2AKDM4EMEN1RAB9A
SCHEMBL8415835 0.81 CHEK1 (0.51) CHEK1PIM1MAPK8CLK4POLB
SCHEMBL7407271 0.81 F10 (0.51) POLBBRD4KMT2AKDM4ELMNA
SCHEMBL8414778 0.79 PDE4D (0.67) CHEK1PIM1MAPK8CLK4POLB

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