SCHEMBL7947680

SCHEMBL7947680

O=C(NSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.54
KDR P35968 2/20 0.51
TLR7 Q9NYK1 3/20 0.49
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
TLR8 Q9NR97 5/20 0.47
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
GRM4 Q14833 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 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
SCHEMBL7948340 0.80 RAB9A (0.47) IL2TLR7ITGB1ITGA4NPSR1
SCHEMBL6815920 0.80 IL2 (0.58) IL2KDRTLR7TLR8NPSR1
SCHEMBL11619037 0.79 KDR (0.66) IL2KDRNPSR1GAAMAPT
SCHEMBL7939066 0.79 RAB9A (0.46) IL2TLR7ITGB1ITGA4TLR8
SCHEMBL22339739 0.77 TMPRSS4 (0.59) IL2KDRTLR7TLR8NPSR1
SCHEMBL17144306 0.76 TLR7 (0.57) IL2KDRTLR7TLR8NPSR1
SCHEMBL6815923 0.74 IL2 (0.53) IL2KDRTLR7TLR8NPSR1
SCHEMBL8559828 0.74 CTSD (0.55) KDRMAPTRAB9AGRM4TRPV1
SCHEMBL6819897 0.74 KDR (0.68) KDRNPSR1MAPTRAB9AGRM4
SCHEMBL11088680 0.73 KDR (0.56) IL2KDRNPSR1GAAMAPT

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