SCHEMBL29948010

SCHEMBL29948010

O=c1[nH]ccnc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
RIPK1 Q13546 2/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
PDPK1 O15530 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPK1 P28482 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 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
SCHEMBL5065601 0.81 PDE3B (0.47) PDE3BPDE3AKDM4EALDH1A1NISCH
SCHEMBL17151506 0.81 PDE3B (0.47) PDE3BPDE3APDGFRBPDPK1
SCHEMBL13619228 0.81 NISCH (0.56) KDM4EALDH1A1NISCHMEN1KMT2A
SCHEMBL13619043 0.81 PDE3B (0.47) PDE3BPDE3AKDM4EALDH1A1PDGFRB
SCHEMBL5065569 0.81 MTOR (0.53) PDE3BPDE3AKDM4EALDH1A1NISCH
SCHEMBL15144399 0.77 PDE3B (0.51) PDE3BPDE3AKDM4EALDH1A1PDGFRB
SCHEMBL6619540 0.73 DAO (0.42) PDE3BPDE3AKDM4EALDH1A1DAO
SCHEMBL183153 0.72 NISCH (0.64) PDE3BPDE3ARIPK1CDK2KDM4E
SCHEMBL30719409 0.72 AURKA (0.40) ALDH1A1MAPK1NISCH
SCHEMBL3949651 0.70 KDM5B (0.42) PDE3BPDE3AKDM4EALDH1A1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112858519-B Detection method for related substances of amoxicillin potassium clavulanate granules 黑龙江全乐制药有限公司 2022-12-02 CN claimed
CN-118731216-A Detection method of related substances of amoxicillin and clavulanate potassium tablets 广州白云山医药集团股份有限公司白云山制药总厂 2024-10-01 CN disclosed
CN-112305117-B Chromatographic detection method for determining related substances of amoxicillin and clavulanate potassium 四川制药制剂有限公司 2022-09-09 CN disclosed