SCHEMBL5309593

SCHEMBL5309593

CC(C)N(C(=O)c1ccc(Cl)cc1)c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PPARA Q07869 1/20 0.36
HTR2C P28335 1/20 0.35
ALKBH5 Q6P6C2 2/20 0.35
AURKA O14965 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34

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 0.93 PDE4A (0.37) HPGDKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5309338 0.92 IRAK4 (0.38) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL5312693 0.92 APOBEC3A (0.35) HPGDKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5310044 0.92 MEN1 (0.39) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL5306763 0.91 HPGD (0.35) HPGDKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5370148 0.90 TP53 (0.44) HPGDKDM4ESMN1; SMN2NPC1TP53
SCHEMBL5311722 0.90 HPGD (0.34) HPGDKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5313987 0.90 HPGD (0.34) HPGDKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5310626 0.89 ALKBH5 (0.36) APOBEC3AAPOBEC3GALKBH5
SCHEMBL5312653 0.89 APOBEC3A (0.35) HPGDKDM4ELMNASMN1; SMN2HSD17B10

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