SCHEMBL5312653

SCHEMBL5312653

CC(C)N(C(=O)c1ccccc1Cl)c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NTRK1 P04629 1/20 0.35
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GRM5 P41594 1/20 0.33
SMO Q99835 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ATM Q13315 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 3/20 0.32
PPARA Q07869 1/20 0.32
FTO Q9C0B1 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
SCHEMBL5306763 0.92 HPGD (0.35) APOBEC3AAPOBEC3GNTRK1HPGDALDH1A1
SCHEMBL5306949 0.91 APOBEC3A (0.38) APOBEC3AAPOBEC3GHPGDALDH1A1L3MBTL1
SCHEMBL5311331 0.90 MAPT (0.34) APOBEC3AAPOBEC3GNTRK1HPGDALDH1A1
SCHEMBL5312693 0.89 APOBEC3A (0.35) APOBEC3AAPOBEC3GNTRK1HPGDALDH1A1
SCHEMBL5309593 0.89 HPGD (0.39) APOBEC3AAPOBEC3GHPGDALDH1A1L3MBTL1
SCHEMBL5306834 0.88 PDE4A (0.37) APOBEC3AAPOBEC3GNTRK1HPGDALDH1A1
SCHEMBL5311722 0.87 HPGD (0.34) APOBEC3AAPOBEC3GHPGDALDH1A1L3MBTL1
SCHEMBL5313987 0.87 HPGD (0.34) APOBEC3AAPOBEC3GHPGDALDH1A1L3MBTL1
SCHEMBL5309825 0.87 IRAK4 (0.36) APOBEC3AAPOBEC3GNTRK1HPGDALDH1A1
SCHEMBL5309338 0.86 IRAK4 (0.38) APOBEC3AAPOBEC3GALDH1A1KDM4ESMN1; SMN2

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