SCHEMBL5310044

SCHEMBL5310044

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
AURKA O14965 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TP53 P04637 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL5309338 0.92 IRAK4 (0.38) MEN1KMT2AMAPTAPOBEC3AAPOBEC3G
SCHEMBL5309593 0.92 HPGD (0.39) MEN1KMT2AMAPTAPOBEC3AAPOBEC3G
SCHEMBL5309170 0.91 APOBEC3A (0.34) MEN1KMT2AHTTMAPTPOLB
SCHEMBL5311331 0.90 MAPT (0.34) MEN1KMT2AHTTMAPTPOLB
SCHEMBL5308815 0.90 APOBEC3A (0.33) MEN1KMT2AHTTMAPTPOLB
SCHEMBL5310626 0.89 ALKBH5 (0.36) APOBEC3AAPOBEC3G
SCHEMBL5312693 0.88 APOBEC3A (0.35) MEN1KMT2AMAPTAPOBEC3AAPOBEC3G
SCHEMBL5306834 0.88 PDE4A (0.37) MEN1KMT2AMAPTPOLBAPOBEC3A
SCHEMBL5306949 0.86 APOBEC3A (0.38) MEN1KMT2AMAPTPOLBAPOBEC3A
SCHEMBL5313987 0.86 HPGD (0.34) MEN1KMT2AMAPTPOLBAPOBEC3A

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 1 patent. 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