SCHEMBL4731314

SCHEMBL4731314

CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(-c2ccc(-c3cc4ncccn4n3)cc2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2B6 P20813 4/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CYP2C8 P10632 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLQ O75417 1/20 0.32

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
SCHEMBL4732780 0.93 NTRK1 (0.34) APOBEC3AAPOBEC3GABL1BCRLMNA
SCHEMBL4731297 0.93 TP53 (0.34) CYP2C9CYP2B6CYP2C19CYP3A4CYP2C8
SCHEMBL4731374 0.86 NTRK1 (0.34) ALDH1A1
SCHEMBL4731299 0.85 APOBEC3A (0.35) APOBEC3AAPOBEC3GABL1
SCHEMBL4730991 0.84 APOBEC3A (0.33) APOBEC3AAPOBEC3GABL1LMNASMN1; SMN2
SCHEMBL4732555 0.83 APOBEC3A (0.34) APOBEC3AAPOBEC3GABL1SMN1; SMN2
SCHEMBL4732771 0.83 APOBEC3A (0.34) APOBEC3AAPOBEC3GCYP2C9CYP2C19ABL1
SCHEMBL4798458 0.80 APOBEC3A (0.33) APOBEC3AAPOBEC3GCYP2C9CYP2B6CYP2C19
SCHEMBL4138718 0.79 APOBEC3A (0.33) APOBEC3AAPOBEC3GABL1
SCHEMBL4138722 0.79 APOBEC3A (0.33) APOBEC3AAPOBEC3GABL1

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