SCHEMBL4776414

SCHEMBL4776414

O=C(O)c1sc(-c2ccc(-c3cc4ncccn4n3)cc2)cc1N(C(=O)C1CCC(C(F)(F)F)CC1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SLC6A9 P48067 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL4776412 1.00 APOBEC3A (0.32) APOBEC3AAPOBEC3GSLC6A9HDAC1HDAC8
SCHEMBL4797619 0.92 KDM4E (0.34) SLC6A9
SCHEMBL4797630 0.92 KDM4E (0.34) SLC6A9
SCHEMBL4780879 0.90 CYP2E1 (0.35) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL4780874 0.90 CYP2E1 (0.35) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL4781957 0.87 PI4KB (0.32)
SCHEMBL4781951 0.87 PI4KB (0.32)
SCHEMBL4776428 0.86 NR1I2 (0.33) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL4776435 0.86 NR1I2 (0.33) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL4138718 0.86 APOBEC3A (0.33) APOBEC3AAPOBEC3G

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
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