SCHEMBL5311331

SCHEMBL5311331

CC(C)N(C(=O)c1ccc(Br)cc1Cl)c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
POLB P06746 2/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 3/20 0.33
DHODH Q02127 1/20 0.32
AURKA O14965 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NTRK1 P04629 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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) MAPTPOLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL5309170 0.92 APOBEC3A (0.34) MAPTPOLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL5308815 0.91 APOBEC3A (0.33) MAPTPOLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL5312653 0.90 APOBEC3A (0.35) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL5310044 0.90 MEN1 (0.39) MAPTPOLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL5313987 0.89 HPGD (0.34) MAPTPOLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL5312693 0.86 APOBEC3A (0.35) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL5309593 0.86 HPGD (0.39) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL5311722 0.86 HPGD (0.34) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL5309825 0.85 IRAK4 (0.36) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A

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