SCHEMBL29076873

SCHEMBL29076873

Cc1cccc2c1C1(CCC1)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.46
AKR1B1 P15121 1/20 0.42
BACE1 P56817 1/20 0.39
TNKS O95271 4/20 0.38
TNKS2 Q9H2K2 4/20 0.38
CREBBP Q92793 2/20 0.37
MAPK14 Q16539 2/20 0.36
BRD4 O60885 1/20 0.36
PDE7A Q13946 1/20 0.36
HTR7 P34969 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL30881935 0.96 PGR (0.46) PGRAKR1B1BACE1TNKSTNKS2
SCHEMBL29621945 0.93 AKR1B1 (0.44) PGRAKR1B1BACE1TNKSTNKS2
SCHEMBL24455096 0.93 AKR1B1 (0.44) PGRAKR1B1BACE1TNKSTNKS2
SCHEMBL3257846 0.86 BACE1 (0.51) PGRAKR1B1BACE1TNKSTNKS2
SCHEMBL23778287 0.86 MEN1 (0.42) PGRAKR1B1BACE1TNKSTNKS2
SCHEMBL6635806 0.84 BACE1 (0.50) PGRAKR1B1BACE1TNKSTNKS2
Hydrochloric Acid SCHEMBL6641764 0.83 BACE1 (0.49) PGRAKR1B1BACE1TNKSTNKS2
Hydrochloric Acid SCHEMBL6747887 0.83 BACE1 (0.49) PGRAKR1B1BACE1TNKSTNKS2
SCHEMBL30667191 0.81 AKR1B1 (0.37) PGRAKR1B1BACE1CREBBPBRD4
SCHEMBL16687077 0.80 PGR (0.50) PGRAKR1B1BACE1TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090514-A1 COVALENT SARM1 INHIBITORS NURA BIO, INC. (US) 2025-05-01 WO disclosed
CN-116802176-A Oxindoles and methods of use thereof 阿利戈斯治疗公司 2023-09-22 CN disclosed
EP-4240722-A1 OXINDOLES AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2023-09-13 EP disclosed
WO-2022099066-A1 OXINDOLES AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed