SCHEMBL4728477

SCHEMBL4728477

COCC(C)N(C(=O)c1ccc(Cl)cc1F)c1cc(-c2ccc(-c3cc4ncccn4n3)cc2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.35
JAK2 O60674 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL4730991 0.91 APOBEC3A (0.33) JAK2TP53
SCHEMBL4730432 0.87 NPC1 (0.38) SLC6A9IRAK4
SCHEMBL4730446 0.86 KDM4E (0.38) TP53RXFP1
SCHEMBL4732771 0.83 APOBEC3A (0.34) JAK2TP53
SCHEMBL14223294 0.82 NPC1 (0.37) SLC6A9IRAK4TP53RXFP1
SCHEMBL4732780 0.80 NTRK1 (0.34)
SCHEMBL4731095 0.80 S1PR1 (0.36) IRAK4
SCHEMBL4728761 0.79 SLC6A9 (0.33) SLC6A9
SCHEMBL14291286 0.79 IKBKB (0.33) SLC6A9
SCHEMBL4727903 0.79 MAPT (0.39) TP53RXFP1

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-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 WO claimed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 WO disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 WO disclosed