SCHEMBL6224490

SCHEMBL6224490

CC(C)(C)NC(=S)Nc1cc(Cl)c(O)c(-c2nc3ccccc3s2)c1.CC(CC(=O)O)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
THRB P10828 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 5/20 0.40
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
POLB P06746 2/20 0.38
CTSD P07339 1/20 0.38
LMNA P02545 1/20 0.38
AGPAT2 O15120 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL12846511 0.87 SMN1; SMN2 (0.49) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL4341725 0.86 MAPT (0.52) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL6224486 0.86 SMN1; SMN2 (0.42) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL4352804 0.80 MAPT (0.56) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL4354543 0.77 SMN1; SMN2 (0.50) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL12846756 0.73 TP53 (0.49) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL4561504 0.73 MAPT (0.54) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL4502451 0.73 MAPT (0.50) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL4341723 0.72 MAPT (0.49) MAPTSMN1; SMN2THRBMEN1KMT2A
SCHEMBL4354538 0.72 SMN1; SMN2 (0.52) MAPTSMN1; SMN2THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed