SCHEMBL4780879

SCHEMBL4780879

CC1CCC(C(=O)N(c2cc(-c3ccc(-c4cc5ncccn5n4)cc3)sc2C(=O)O)C2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.35
NR1I2 O75469 2/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SYK P43405 1/20 0.31
TGFBR1 P36897 1/20 0.31
SLC6A9 P48067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4780874 1.00 CYP2E1 (0.35) CYP2E1NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4776435 0.95 NR1I2 (0.33) CYP2E1NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4776428 0.95 NR1I2 (0.33) CYP2E1NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4780549 0.92 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4780540 0.92 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL14291165 0.92 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4776414 0.90 APOBEC3A (0.32) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL4776412 0.90 APOBEC3A (0.32) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL14290994 0.88 KDM4E (0.35) SYKSLC6A9KDM4ERAB9ASMN1; SMN2
SCHEMBL4775789 0.87 CYP2E1 (0.40) CYP2E1APOBEC3AAPOBEC3GSYK

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