SCHEMBL4776435

SCHEMBL4776435

CC1CCC(C(=O)N(c2cc(-c3ccc(-c4cc5ncccn5n4)cc3)sc2C(=O)O)C2CCOC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2E1 P05181 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SLC6A9 P48067 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SYK P43405 1/20 0.31
PIK3R1 P27986 2/20 0.30
PIK3CA P42336 2/20 0.30
MTOR P42345 2/20 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
SCHEMBL4776428 1.00 NR1I2 (0.33) NR1I2KDM4ERAB9AHSD17B10CYP2E1
SCHEMBL4780879 0.95 CYP2E1 (0.35) NR1I2KDM4ERAB9AHSD17B10CYP2E1
SCHEMBL4780874 0.95 CYP2E1 (0.35) NR1I2KDM4ERAB9AHSD17B10CYP2E1
SCHEMBL14290994 0.93 KDM4E (0.35) KDM4ERAB9AHSD17B10SMN1; SMN2SLC6A9
SCHEMBL14291165 0.89 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4780549 0.89 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4780540 0.89 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4776412 0.86 APOBEC3A (0.32) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL4776414 0.86 APOBEC3A (0.32) APOBEC3AAPOBEC3GSLC6A9
SCHEMBL4148687 0.84 APOBEC3A (0.35) NR1I2APOBEC3AAPOBEC3GSYK

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