SCHEMBL5489953

SCHEMBL5489953

CC(c1ccc(Cl)cc1)C(CNC(=O)C1COc2ccccc2C1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.53
MAOB P27338 3/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5487436 0.83 HDAC6 (0.46) TP53MAPT
SCHEMBL3520468 0.81 TP53 (0.52) TP53MAOB
SCHEMBL3529584 0.78 TP53 (0.51) TP53MAOB
SCHEMBL5476542 0.78 NFKB1 (0.39) TP53MAPT
SCHEMBL5200515 0.75 MGLL (0.44) TP53
SCHEMBL5486983 0.75 TP53 (0.39) TP53LMNAMAPT
SCHEMBL5200358 0.74 SMN1; SMN2 (0.41) TP53MAPT
SCHEMBL5206255 0.74 MEN1 (0.41) TP53
SCHEMBL5479926 0.74 PRMT5 (0.42) LMNA
SCHEMBL5492414 0.72 TP53 (0.43) TP53LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP claimed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP claimed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed