SCHEMBL30506331

SCHEMBL30506331

COc1ccc(-c2coc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PREP P48147 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ LDHA P00338 1/20 0.45
▸ SMO Q99835 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41

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
SCHEMBL20116112 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PREPMAPTPOLBLDHA
SCHEMBL20116462 0.86 SMO (0.57) SMN1; SMN2LDHASMOKMT2A
SCHEMBL30720960 0.86 SMO (0.57) SMN1; SMN2LDHASMOKMT2A
SCHEMBL20661039 0.84 SMN1; SMN2 (0.45) SMN1; SMN2LDHASMOP2RY12KMT2A
SCHEMBL20116128 0.84 TLR8 (0.59) SMN1; SMN2PREPMAPTPOLBTLR9
SCHEMBL30506325 0.83 MAPT (0.51) SMN1; SMN2PREPMAPTPOLBLDHA
SCHEMBL20116116 0.83 MAPT (0.51) SMN1; SMN2PREPMAPTPOLBLDHA
SCHEMBL22357815 0.83 PREP (0.53) SMN1; SMN2PREPMAPTPOLBLDHA
SCHEMBL22358095 0.82 SMO (0.53) SMN1; SMN2POLBLDHASMOTLR9
SCHEMBL22357830 0.81 SMO (0.52) SMN1; SMN2LDHASMOKMT2A

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
Send feedback