SCHEMBL4732771

SCHEMBL4732771

CC(C)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccc(-c3cc4ncccn4n3)cc2)sc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MARS1 P56192 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 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
SCHEMBL4727903 0.92 MAPT (0.39) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL4730991 0.92 APOBEC3A (0.33) APOBEC3AAPOBEC3GKDM4ENPC1LMNA
SCHEMBL4731299 0.87 APOBEC3A (0.35) APOBEC3AAPOBEC3GAURKADAPK3JAK2
SCHEMBL4729542 0.86 NPC1 (0.38) KDM4ENPC1LMNATP53HPGD
SCHEMBL4732555 0.85 APOBEC3A (0.34) APOBEC3AAPOBEC3GKDM4ENPC1RAB9A
SCHEMBL4730446 0.85 KDM4E (0.38) KDM4ENPC1TP53RAB9A
SCHEMBL4731095 0.84 S1PR1 (0.36) MARS1KDM4ENPC1
SCHEMBL4731314 0.83 APOBEC3A (0.33) APOBEC3AAPOBEC3GLMNASMN1; SMN2ABL1
SCHEMBL14223411 0.83 ALDH1A1 (0.33) APOBEC3AAPOBEC3GMARS1
SCHEMBL4728477 0.83 SLC6A9 (0.35) TP53JAK2

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