SCHEMBL5309170

SCHEMBL5309170

Cc1cc(Br)ccc1C(=O)N(c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 3/20 0.33
SORT1 Q99523 1/20 0.33
MAPT P10636 4/20 0.32
POLB P06746 1/20 0.32
AURKA O14965 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
ALDH1A1 P00352 2/20 0.31
DHODH Q02127 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL5308815 0.92 APOBEC3A (0.33) APOBEC3AAPOBEC3GMEN1KMT2AHTT
SCHEMBL5311331 0.92 MAPT (0.34) APOBEC3AAPOBEC3GMEN1KMT2AHTT
SCHEMBL5309825 0.92 IRAK4 (0.36) APOBEC3AAPOBEC3GMEN1KMT2AMAPT
SCHEMBL5310044 0.91 MEN1 (0.39) APOBEC3AAPOBEC3GMEN1KMT2AHTT
SCHEMBL5306949 0.91 APOBEC3A (0.38) APOBEC3AAPOBEC3GMEN1KMT2AMAPT
SCHEMBL14542210 0.91 CA12 (0.41) MEN1KMT2AMAPTPOLBRXFP1
SCHEMBL5313987 0.87 HPGD (0.34) APOBEC3AAPOBEC3GMEN1KMT2AMAPT
SCHEMBL5309338 0.87 IRAK4 (0.38) APOBEC3AAPOBEC3GMEN1KMT2AMAPT
SCHEMBL5309667 0.85 APOBEC3A (0.34) APOBEC3AAPOBEC3GMEN1KMT2AALDH1A1
SCHEMBL5306763 0.85 HPGD (0.35) APOBEC3AAPOBEC3GMEN1KMT2AMAPT

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