SCHEMBL11092802

SCHEMBL11092802

COc1ccccc1C1=CCN(C(=O)[CH]SC)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CCNT1 O60563 5/20 0.45
CDK9 P50750 5/20 0.45
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
QDPR P09417 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PDK4 Q16654 1/20 0.41
NAMPT P43490 1/20 0.41
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
PARP1 P09874 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39

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
SCHEMBL11089327 0.83 MAPT (0.42) MAPTPPARGPPARAPDK4KCNH2
SCHEMBL20993990 0.82 MAPT (0.50) MAPTCCNT1CDK9PPARGPPARA
SCHEMBL7549123 0.81 MAPT (0.49) MAPTCCNT1CDK9PPARGPPARA
SCHEMBL186070 0.78 CCNT1 (0.52) MAPTCCNT1CDK9PPARGPPARA
SCHEMBL29580432 0.77 PDK4 (0.67) PDK4NAMPTGRM5GRM1
SCHEMBL4859866 0.77 PDK4 (0.67) PDK4NAMPTGRM5GRM1
SCHEMBL13801237 0.75 TNKS (0.51) MAPTCCNT1CDK9PPARGPPARA
SCHEMBL11087646 0.74 CNR1 (0.51) MAPTQDPRNAMPT
SCHEMBL11083906 0.74 QDPR (0.45) MAPTQDPRNAMPTKCNH2
SCHEMBL5547709 0.72 QDPR (0.54) QDPRTNKSTNKS2

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-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 EP disclosed