SCHEMBL31499690

SCHEMBL31499690

CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ WRN Q14191 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ CETP P11597 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL25037077 0.94 MAPT (0.45) MAPTALDH1A1SMN1; SMN2ESR2NPC1
SCHEMBL31499661 0.90 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2ESR2NPC1
SCHEMBL31394671 0.89 MAPT (0.40) MAPTALDH1A1SMN1; SMN2ESR2NPC1
SCHEMBL31499858 0.89 MAPT (0.40) MAPTALDH1A1SMN1; SMN2ESR2NPC1
SCHEMBL30037486 0.88 MAPT (0.40) MAPTALDH1A1SMN1; SMN2ESR2NPC1
SCHEMBL25035212 0.86 WRN (0.49) MAPTALDH1A1SMN1; SMN2ESR2WRN
SCHEMBL30038096 0.86 WRN (0.49) MAPTALDH1A1SMN1; SMN2ESR2WRN
SCHEMBL31500029 0.85 WRN (0.47) MAPTALDH1A1SMN1; SMN2ESR2NPC1
SCHEMBL25036710 0.85 MAPT (0.47) MAPTALDH1A1SMN1; SMN2ESR2NPC1
SCHEMBL31499616 0.85 WRN (0.45) MAPTALDH1A1SMN1; SMN2ESR2NPC1

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
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 — — WO disclosed
CN-119899186-A Azabicyclo derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-29 — — CN disclosed
Send feedback