SCHEMBL7947593

SCHEMBL7947593

O=C(NSCCc1ccc(F)cc1)Nc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL7946507 0.89 KMT2A (0.53) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL7946439 0.86 KMT2A (0.58) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL30739608 0.79 LMNA (1.00) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL6295702 0.79 LMNA (1.00) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL7947599 0.78 MEN1 (0.55) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL7938865 0.75 LMNA (0.64) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL6816342 0.75 LMNA (0.64) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL7948467 0.75 KMT2A (0.50) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL7945565 0.75 KMT2A (0.50) LMNAKMT2AMEN1TDP1MAPT
SCHEMBL7945583 0.74 KMT2A (0.49) LMNAKMT2AMEN1TDP1MAPT

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
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed