SCHEMBL4732780

SCHEMBL4732780

CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1F)c1cc(-c2ccc(-c3cc4ncccn4n3)cc2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.34
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4731314 0.93 APOBEC3A (0.33) APOBEC3AAPOBEC3GABL1BCRLMNA
SCHEMBL4731374 0.93 NTRK1 (0.34) NTRK1ALOX5APFEN1ALDH1A1
SCHEMBL4730991 0.89 APOBEC3A (0.33) NTRK1APOBEC3AAPOBEC3GABL1LMNA
SCHEMBL4731297 0.86 TP53 (0.34) ALDH1A1
SCHEMBL4731299 0.84 APOBEC3A (0.35) NTRK1APOBEC3AAPOBEC3GABL1
SCHEMBL2157820 0.84 NTRK1 (0.45) NTRK1ALDH1A1SMN1; SMN2
SCHEMBL4732771 0.83 APOBEC3A (0.34) NTRK1APOBEC3AAPOBEC3GABL1LMNA
SCHEMBL4732555 0.83 APOBEC3A (0.34) NTRK1APOBEC3AAPOBEC3GABL1SMN1; SMN2
SCHEMBL4730446 0.82 KDM4E (0.38)
SCHEMBL4728477 0.80 SLC6A9 (0.35)

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