SCHEMBL19405236

SCHEMBL19405236

CCCCOc1cc2nc(NCc3ccc(OC)cc3)nc(N3CCN(C)CC3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.78
TLR9 Q9NR96 6/20 0.63
SPIN4 Q56A73 1/20 0.52
SPIN3 Q5JUX0 1/20 0.52
SPIN2B Q9BPZ2 1/20 0.52
SPIN1 Q9Y657 1/20 0.52
HRH1 P35367 2/20 0.49
HRH4 Q9H3N8 2/20 0.49
NSD2 O96028 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
NTSR1 P30989 1/20 0.49

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
SCHEMBL19405239 0.90 TLR7 (0.78) TLR7TLR9SPIN4SPIN3SPIN2B
SCHEMBL19405151 0.88 TLR7 (1.00) TLR7TLR9HRH1HRH4EHMT2
SCHEMBL19405237 0.85 TLR9 (0.81) TLR7TLR9SMN1; SMN2EHMT2PDGFRB
SCHEMBL19385129 0.82 TLR7 (1.00) TLR7TLR9SPIN4SPIN3SPIN2B
SCHEMBL19405149 0.78 TLR7 (1.00) TLR7TLR9PDGFRBPDGFRANTSR1
SCHEMBL19406433 0.78 TLR7 (0.81) TLR7TLR9NSD2SMN1; SMN2
SCHEMBL19405193 0.76 TLR9 (0.80) TLR7TLR9PDGFRBPDGFRANTSR1
SCHEMBL19385236 0.75 TLR7 (1.00) TLR7TLR9SPIN4SPIN3SPIN2B
SCHEMBL2804070 0.74 HRH4 (0.57) TLR7TLR9HRH1HRH4
SCHEMBL19385200 0.74 TLR9 (1.00) TLR7TLR9PDGFRBPDGFRA

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
WO-2017163264-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 WO disclosed