SCHEMBL7948409

SCHEMBL7948409

O=C(NSc1cc(Br)cc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
P2RX1 P51575 3/20 0.46
P2RX7 Q99572 2/20 0.46
TRPV1 Q8NER1 1/20 0.44
P2RX4 Q99571 1/20 0.43
PTGS1 P23219 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL6815997 0.78 TLR8 (0.58) TLR8MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6819187 0.78 TLR8 (0.71) TLR8MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL7945583 0.74 KMT2A (0.49) TLR8MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL17664286 0.74 MEN1 (0.70) TLR8MEN1KMT2ATDP1NPC1
SCHEMBL6816005 0.73 TLR8 (0.55) TLR8MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL4825016 0.72 KMT2A (0.83) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL7948395 0.72 MEN1 (0.52) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL6811322 0.72 TLR8 (0.68) TLR8MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL7950745 0.72 MEN1 (0.51) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL11141981 0.71 MEN1 (0.59) TLR8MEN1KMT2ATDP1SMN1; SMN2

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