SCHEMBL8415835

SCHEMBL8415835

COc1ccc(C(=O)Nc2ccc(C(=O)O)nc2NC(=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
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
F10 P00742 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 4/20 0.47
P4HTM Q9NXG6 2/20 0.47
LMNA P02545 1/20 0.47
PDE4D Q08499 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 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
SCHEMBL8415821 0.92 KDM4E (0.53) CHEK1PIM1MAPK8CLK4CYP1A2
SCHEMBL7410354 0.88 KMT2A (0.55) KMT2AMEN1F10KDM4EMAPT
SCHEMBL7413404 0.83 KMT2A (0.64) CHEK1PIM1MAPK8CLK4CYP1A2
SCHEMBL8417461 0.83 KMT2A (0.64) CHEK1PIM1MAPK8CLK4CYP1A2
SCHEMBL7409765 0.83 NPC1 (0.46) KDM4ETDP1RAB9ANPC1
SCHEMBL8414166 0.81 CHEK1 (0.51) CHEK1PIM1MAPK8CLK4CYP1A2
SCHEMBL7411534 0.81 POLB (0.65) CHEK1PIM1MAPK8CLK4KMT2A
SCHEMBL7408481 0.81 POLB (0.65) CHEK1PIM1MAPK8CLK4KMT2A
SCHEMBL7408194 0.79 F10 (0.52) KMT2APOLBMEN1F10KDM4E
SCHEMBL8414778 0.79 PDE4D (0.67) CHEK1PIM1MAPK8CLK4CYP1A2

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