SCHEMBL18772124

SCHEMBL18772124

CCOC(=O)C1=Cc2ccc(-c3cccc(C(=O)N(C)C)c3)cc2NC(N=NN)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ ERN1 O75460 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ GALR1 P47211 1/20 0.34
▸ OTUD7B Q6GQQ9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL18771933 0.92 TLR8 (0.34) TLR8TLR7ERN1CYP3A4OTUD7B
SCHEMBL18771979 0.87 TLR8 (0.44) TLR8TLR7GALR1
SCHEMBL19265546 0.85 TLR8 (0.33) TLR8TLR7ERN1CYP3A4OTUD7B
SCHEMBL18772024 0.84 TLR8 (0.56) TLR8TLR7
SCHEMBL18772002 0.84 HPGD (0.37) TLR8TLR7LMNAHPGDTSHR
SCHEMBL18771974 0.83 MMP2 (0.45) TLR8TLR7HPGDTSHR
SCHEMBL18772117 0.83 KDM4E (0.39) TLR8TLR7LMNAHPGD
SCHEMBL18771963 0.83 MMP2 (0.41) TLR8TLR7HPGD
SCHEMBL18771997 0.81 TLR8 (0.45) TLR8TLR7LMNAHPGDTSHR
SCHEMBL19265526 0.81 TLR8 (0.40) TLR8TLR7HPGD

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
EP-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 — — EP disclosed
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