SCHEMBL4725145

SCHEMBL4725145

COCC(COC)N(c1cc(-c2ccc(-c3cc4ncccn4n3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.34
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PDE4D Q08499 2/20 0.31
SYK P43405 2/20 0.31
SLC6A9 P48067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4777606 1.00 IKBKB (0.34) IKBKBAPOBEC3AAPOBEC3GPDE4DSYK
SCHEMBL4793400 0.94 KDM4E (0.36) IKBKBPDE4DSYKSLC6A9KDM4E
SCHEMBL4793397 0.94 KDM4E (0.36) IKBKBPDE4DSYKSLC6A9KDM4E
SCHEMBL14291286 0.93 IKBKB (0.33) IKBKBAPOBEC3AAPOBEC3GPDE4DSYK
SCHEMBL4148687 0.89 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYK
SCHEMBL4148693 0.89 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYK
Ammonia Solution, Strong SCHEMBL4153546 0.88 APOBEC3A (0.34) APOBEC3AAPOBEC3GSYK
Ammonia Solution, Strong SCHEMBL4153549 0.88 APOBEC3A (0.34) APOBEC3AAPOBEC3GSYK
SCHEMBL14291019 0.88 KDM4E (0.36) PDE4DSYKSLC6A9KDM4EHTT
SCHEMBL4726527 0.87 ALDH1A1 (0.39) APOBEC3AAPOBEC3GSYKKDM4E

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
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO claimed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed