SCHEMBL8417461

SCHEMBL8417461

COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(C(N)=S)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
CHEK1 O14757 1/20 0.58
PIM1 P11309 1/20 0.58
MAPK8 P45983 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
NPC1 O15118 1/20 0.57
F10 P00742 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL7413404 1.00 KMT2A (0.64) KMT2AMEN1CHEK1PIM1MAPK8
SCHEMBL8414778 0.88 PDE4D (0.67) KMT2AMEN1CHEK1PIM1MAPK8
SCHEMBL7409183 0.87 MEN1 (0.84) KMT2AMEN1NPC1F10CYP1A2
SCHEMBL7410644 0.87 MEN1 (0.84) KMT2AMEN1NPC1F10CYP1A2
SCHEMBL8414166 0.85 CHEK1 (0.51) KMT2AMEN1CHEK1PIM1MAPK8
SCHEMBL8415835 0.83 CHEK1 (0.51) KMT2AMEN1CHEK1PIM1MAPK8
SCHEMBL8414780 0.82 ALDH1A1 (0.58) KMT2AMEN1CHEK1PIM1MAPK8
SCHEMBL7411821 0.82 ALDH1A1 (0.58) KMT2AMEN1CHEK1PIM1MAPK8
SCHEMBL2979309 0.82 CA12 (0.64) KMT2AMEN1CHEK1PIM1MAPK8
SCHEMBL27837488 0.81 CYP1A2 (0.66) KMT2AMEN1CHEK1PIM1MAPK8

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