SCHEMBL7948395

SCHEMBL7948395

NNC(=O)c1cccc(SNC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 9/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 11/20 0.48
RAB9A P51151 11/20 0.48
TP53 P04637 4/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
F2R P25116 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7950745 0.80 MEN1 (0.51) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL4242557 0.78 MEN1 (0.75) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL6815205 0.77 MEN1 (0.61) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL7938910 0.74 KMT2A (0.47) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL7948409 0.72 TLR8 (0.54) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL6815226 0.72 SMN1; SMN2 (0.54) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL4033535 0.72 MEN1 (0.68) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL7945583 0.72 KMT2A (0.49) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL7947411 0.72 NPC1 (0.46) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL7075705 0.70 MEN1 (0.75) MEN1KMT2ATDP1SMN1; SMN2LMNA

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