SCHEMBL19405154

SCHEMBL19405154

CCCCOc1cc2nc(N3CCCC3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.67
TLR7 Q9NYK1 7/20 0.67
KMT5A Q9NQR1 1/20 0.59
NSD2 O96028 1/20 0.52
EHMT2 Q96KQ7 1/20 0.52
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
KCNH2 Q12809 1/20 0.51
PDGFRB P09619 2/20 0.49
SPIN1 Q9Y657 2/20 0.49
WHR1 P49842 2/20 0.48

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
SCHEMBL19385275 0.93 TLR9 (0.67) TLR9TLR7KMT5ANSD2EHMT2
SCHEMBL19385115 0.92 TLR7 (0.67) TLR9TLR7KMT5ANSD2EHMT2
SCHEMBL19405140 0.91 TLR9 (0.64) TLR9TLR7KMT5ANSD2EHMT2
SCHEMBL19385096 0.89 TLR7 (0.71) TLR9TLR7KMT5ANSD2EHMT2
SCHEMBL19405155 0.89 TLR9 (0.59) TLR9TLR7KMT5ANSD2EHMT2
SCHEMBL19385362 0.88 TLR7 (0.63) TLR9TLR7KMT5ANSD2EHMT2
SCHEMBL19385130 0.87 TLR9 (0.61) TLR9TLR7KMT5ANSD2EHMT2
SCHEMBL19406135 0.86 TLR9 (0.75) TLR9TLR7
SCHEMBL29936678 0.86 TLR9 (0.89) TLR9TLR7KMT5AEHMT2PDGFRB
SCHEMBL19385232 0.86 TLR9 (0.89) TLR9TLR7KMT5AEHMT2PDGFRB

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