SCHEMBL28526231

SCHEMBL28526231

CN(C)c1ccccc1[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MAPT P10636 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
SCHEMBL28526234 1.00 RIPK1 (0.44) RIPK1TSHRALDH1A1LMNAMEN1
SCHEMBL29856167 0.92 TSHR (0.42) RIPK1TSHRALDH1A1LMNAMEN1
SCHEMBL20170496 0.84 HSP90AA1 (0.56) RIPK1TSHRALDH1A1LMNAMEN1
SCHEMBL22165572 0.83 RIPK1 (0.47) RIPK1TSHRALDH1A1LMNAMEN1
SCHEMBL29748129 0.83 RIPK1 (0.47) RIPK1TSHRALDH1A1LMNAMEN1
SCHEMBL23579324 0.83 RIPK1 (0.47) RIPK1TSHRALDH1A1LMNAMEN1
SCHEMBL28946625 0.83 RIPK1 (0.46) RIPK1LMNAHSP90AA1HSP90AB1
SCHEMBL28946605 0.83 RIPK1 (0.46) RIPK1LMNAHSP90AA1HSP90AB1
SCHEMBL2325712 0.82 NR1H2 (0.57) RIPK1TSHRALDH1A1LMNAMEN1
SCHEMBL6071600 0.82 TSHR (0.55) RIPK1TSHRALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490708-B Sulfonamide macrocyclic derivative, preparation method and application thereof 苏州亚盛药业有限公司 2025-01-24 CN disclosed
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
CN-115490708-A Sulfonamide macrocyclic derivatives, and preparation method and application thereof 苏州亚盛药业有限公司 2022-12-20 CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed