SCHEMBL19416476

SCHEMBL19416476

N=NC(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2NC(N=NN)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.38
▸ HPGD P15428 4/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAOA P21397 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ MLYCD O95822 1/20 0.32

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
SCHEMBL18771941 0.92 HPGD (0.41) TLR8HPGDMAPK1MAOASMN1; SMN2
SCHEMBL18771971 0.91 HPGD (0.40) TLR8HPGDMAPK1MAOASMN1; SMN2
SCHEMBL18771727 0.84 TLR8 (0.42) TLR8HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL18772018 0.84 TLR8 (0.58) TLR8
SCHEMBL18771966 0.84 TLR8 (0.36) TLR8HPGDMAPK1MAOASMN1; SMN2
SCHEMBL18771745 0.84 TLR8 (0.36) TLR8HPGDMAPK1MAOASMN1; SMN2
SCHEMBL18771953 0.84 TLR8 (0.50) TLR8HPGDMAPK1SMN1; SMN2KMT2A
SCHEMBL18771820 0.83 TLR8 (0.57) TLR8
SCHEMBL18771994 0.83 TLR8 (0.42) TLR8HPGDMAPK1SMN1; SMN2KMT2A
SCHEMBL18772123 0.83 TLR8 (0.39) TLR8HPGDMAPK1MAOASMN1; SMN2

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-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 — — EP disclosed
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