SCHEMBL29622110

SCHEMBL29622110

Cc1cccc2c1NC(=O)C21CCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.53
CNR1 P21554 1/20 0.49
HTT P42858 1/20 0.49
GPR35 Q9HC97 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
PGR P06401 8/20 0.41
DAO P14920 1/20 0.40
PDK2 Q15119 3/20 0.37
PDK4 Q16654 2/20 0.37
CREBBP Q92793 1/20 0.36
MAPK14 Q16539 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL29709557 0.87 PDE7A (0.47) PDE7ACNR1HTTGPR35GPR55
SCHEMBL20066133 0.87 PDE7A (0.47) PDE7ACNR1HTTGPR35GPR55
SCHEMBL4716029 0.79 PDE7A (0.53) PDE7APGRCA12CA1CA2
SCHEMBL29622022 0.77 CNR1 (0.40) PDE7ACNR1HTTGPR35GPR55
SCHEMBL16849927 0.77 KMT2A (0.39) PDE7ACNR1HTTGPR35GPR55
SCHEMBL4717341 0.76 PDE7A (0.56) PDE7APGR
SCHEMBL4720372 0.75 PDE7A (0.59) PDE7APGRDAO
SCHEMBL4078896 0.75 PDE7A (0.59) PDE7APGR
SCHEMBL2264510 0.74 PDK2 (0.62) PDE7ACNR1HTTGPR35GPR55
SCHEMBL29076873 0.74 PGR (0.46) PDE7APGRCREBBPMAPK14

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