SCHEMBL5312693

SCHEMBL5312693

CC(C)N(C(=O)c1ccc(Cl)c(Cl)c1)c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NTRK1 P04629 2/20 0.33
KMO O15229 1/20 0.33
MAPT P10636 2/20 0.33
BRAF P15056 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
CSF1R P07333 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
SCHEMBL5306834 0.92 PDE4A (0.37) APOBEC3AAPOBEC3GHPGDKDM4ENPC1
SCHEMBL5309593 0.92 HPGD (0.39) APOBEC3AAPOBEC3GHPGDKDM4ENPC1
SCHEMBL5312653 0.89 APOBEC3A (0.35) APOBEC3AAPOBEC3GHPGDKDM4ENPC1
SCHEMBL5309338 0.89 IRAK4 (0.38) APOBEC3AAPOBEC3GKDM4ENPC1LMNA
SCHEMBL5310044 0.88 MEN1 (0.39) APOBEC3AAPOBEC3GTP53NTRK1MAPT
SCHEMBL5306763 0.88 HPGD (0.35) APOBEC3AAPOBEC3GHPGDKDM4ENPC1
SCHEMBL5311331 0.86 MAPT (0.34) APOBEC3AAPOBEC3GHPGDKDM4ENPC1
SCHEMBL5310626 0.86 ALKBH5 (0.36) APOBEC3AAPOBEC3GKDM2BKDM4C
SCHEMBL5311599 0.85 MAPK14 (0.36) APOBEC3AAPOBEC3GKDM4ENTRK1KMO
SCHEMBL5306949 0.85 APOBEC3A (0.38) APOBEC3AAPOBEC3GHPGDKDM4ELMNA

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-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed