SCHEMBL30006352

SCHEMBL30006352

CC(C)(C)OC(=O)NC1=Nc2cc(Br)ccc2C=C(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.48
BCL2 P10415 7/20 0.35
BACE1 P56817 3/20 0.35
BECN1 Q14457 3/20 0.35
AAK1 Q2M2I8 6/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.32
BRD9 Q9H8M2 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
SCHEMBL1235939 1.00 TLR8 (0.48) TLR8BCL2BACE1BECN1AAK1
SCHEMBL21098295 0.87 TLR8 (0.48) TLR8NPC1RAB9ABRD9
SCHEMBL2333056 0.87 TLR8 (0.51) TLR8BCL2BACE1BECN1AAK1
SCHEMBL16592818 0.85 TLR8 (0.41) TLR8BCL2BACE1BECN1AAK1
SCHEMBL17843455 0.84 TLR8 (0.68) TLR8
SCHEMBL27175788 0.81 TLR8 (0.36) TLR8AAK1LCK
SCHEMBL16592799 0.79 TLR8 (0.42) TLR8BCL2BACE1BECN1AAK1
SCHEMBL1238110 0.79 TLR8 (0.55) TLR8
SCHEMBL28467264 0.79 BACE1 (0.37) TLR8BCL2BACE1BECN1AAK1
SCHEMBL18759358 0.78 TLR8 (0.35) TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117801107-A Benzazepine derivatives, conjugates containing same and application thereof 上海迪诺医药科技有限公司 2024-04-02 CN disclosed
CN-115448917-A Nitrogen-containing compound, conjugate containing nitrogen-containing compound and application of conjugate 上海迪诺医药科技有限公司 2022-12-09 CN disclosed