SCHEMBL4564032

SCHEMBL4564032

COc1ccccc1C(=O)NNC(=O)c1cc(C(F)(F)F)nn1-c1csc(N(C)C(=O)C(C)NC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.42
CARM1 Q86X55 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
SCHEMBL5066923 0.91 MAPT (0.40) MAPTTHRBSMN1; SMN2TP53CARM1
SCHEMBL5066926 0.91 MAPT (0.40) MAPTTHRBSMN1; SMN2TP53CARM1
SCHEMBL4564031 0.83 CARM1 (0.44) MAPTTHRBSMN1; SMN2CARM1
SCHEMBL5066928 0.75 CARM1 (0.41) CARM1
SCHEMBL5066927 0.75 CARM1 (0.41) CARM1
SCHEMBL14012628 0.74 CARM1 (0.42) CARM1
SCHEMBL4563215 0.74 CARM1 (0.41) CARM1
SCHEMBL4563214 0.74 CARM1 (0.41) CARM1
SCHEMBL5070508 0.71 CARM1 (0.53) MAPTTHRBSMN1; SMN2TP53CARM1
SCHEMBL5070507 0.71 CARM1 (0.53) MAPTTHRBSMN1; SMN2TP53CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO disclosed