SCHEMBL5313987

SCHEMBL5313987

CC(C)N(C(=O)c1ccc(Cl)cc1Br)c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 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
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
PPARA Q07869 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AURKA O14965 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) HPGDKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL5311722 0.91 HPGD (0.34) HPGDKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL5371592 0.91 CA12 (0.40) HPGDKDM4ESMN1; SMN2NPC1TP53
SCHEMBL5309593 0.90 HPGD (0.39) HPGDKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL5312357 0.89 HPGD (0.40) HPGDKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL5311331 0.89 MAPT (0.34) HPGDKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL5306834 0.88 PDE4A (0.37) HPGDKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL5309170 0.87 APOBEC3A (0.34) HPGDTP53APOBEC3AAPOBEC3GCA12
SCHEMBL5312653 0.87 APOBEC3A (0.35) HPGDKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL5310044 0.86 MEN1 (0.39) TP53APOBEC3AAPOBEC3GCA12CA9

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