SCHEMBL29622128

SCHEMBL29622128

Cc1cc2c(cc1Br)C1(CCC1)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PGR P06401 3/20 0.43
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
MAPK14 Q16539 14/20 0.42
RAF1 P04049 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29621942 0.81 MAPK14 (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12782405 0.78 MAPK14 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29621846 0.78 MAPK14 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5975963 0.77 PGR (0.49) PGRMAPK14
SCHEMBL5975458 0.75 MAPK14 (0.53) PGRMAPK14RAF1CYP1A2CYP2C9
SCHEMBL29384453 0.75 MAPK14 (0.53) PGRMAPK14RAF1CYP1A2CYP2C9
SCHEMBL1223499 0.74 PGR (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16858556 0.73 PGR (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5499005 0.73 PGR (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL22104724 0.73 CYP1A2 (0.55) PDE4APDE4BPDE4CPDE4DPDE3B

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
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