SCHEMBL7946504

SCHEMBL7946504

O=C(Nc1ccc(N(S)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.57
P2RX1 P51575 6/20 0.51
P2RX7 Q99572 3/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
P2RX4 Q99571 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
TMPRSS4 Q9NRS4 2/20 0.45
XPO1 O14980 1/20 0.43
PTGS1 P23219 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
SCHEMBL6811324 0.95 TLR8 (0.64) TLR8P2RX1P2RX7LMNAMEN1
SCHEMBL6816005 0.90 TLR8 (0.55) TLR8P2RX1P2RX7LMNAMEN1
SCHEMBL6816364 0.89 TLR8 (0.54) TLR8P2RX1P2RX7LMNAMEN1
SCHEMBL6815809 0.88 P2RX1 (0.56) TLR8P2RX1LMNAMEN1KMT2A
SCHEMBL6819264 0.85 TLR8 (0.53) TLR8P2RX1P2RX7LMNAMEN1
SCHEMBL6814825 0.85 MAPT (0.57) TLR8P2RX1P2RX7LMNAMEN1
SCHEMBL6819508 0.85 TLR8 (0.50) TLR8P2RX1P2RX7LMNAMEN1
SCHEMBL6819166 0.84 MAPT (0.56) TLR8P2RX1P2RX7LMNAMEN1
SCHEMBL6819717 0.84 KMT2A (0.56) LMNAMEN1KMT2ATDP1NPC1
SCHEMBL6815832 0.83 TLR8 (0.48) TLR8P2RX1P2RX7LMNAMEN1

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