SCHEMBL7945565

SCHEMBL7945565

O=C(NSCCOc1ccc(I)cc1)Nc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 11/20 0.46
RAB9A P51151 11/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
HTT P42858 4/20 0.44
TLR8 Q9NR97 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL7948467 0.90 KMT2A (0.50) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL7939190 0.84 KMT2A (0.49) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL7948446 0.83 KMT2A (0.47) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL7946439 0.79 KMT2A (0.58) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL6815118 0.78 KMT2A (0.56) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL30799144 0.78 MEN1 (0.83) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL7947593 0.75 LMNA (0.63) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL6815124 0.74 KMT2A (0.51) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL7946507 0.73 KMT2A (0.53) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL7945583 0.72 KMT2A (0.49) KMT2AMEN1TDP1LMNAKDM4E

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