SCHEMBL5309338

SCHEMBL5309338

Cc1ccc(C(=O)N(c2nn(-c3ccc(-c4cc5ncccn5n4)cc3)cc2C(=O)O)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.38
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
USP2 O75604 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM5B Q9UGL1 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL5310044 0.92 MEN1 (0.39) KMT2AMEN1APOBEC3AAPOBEC3GMAPT
SCHEMBL5309593 0.92 HPGD (0.39) KMT2ARAB9ASMN1; SMN2MEN1APOBEC3A
SCHEMBL5309825 0.92 IRAK4 (0.36) IRAK4KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL14542427 0.90 NPC1 (0.45) KMT2ARAB9ASMN1; SMN2MEN1MAPT
SCHEMBL5310626 0.90 ALKBH5 (0.36) APOBEC3AAPOBEC3G
SCHEMBL5312693 0.89 APOBEC3A (0.35) KMT2ARAB9ASMN1; SMN2MEN1APOBEC3A
SCHEMBL5306834 0.89 PDE4A (0.37) KMT2ARAB9ASMN1; SMN2MEN1APOBEC3A
SCHEMBL5306949 0.89 APOBEC3A (0.38) IRAK4KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5309170 0.87 APOBEC3A (0.34) IRAK4KMT2AMEN1APOBEC3AAPOBEC3G
SCHEMBL5312653 0.86 APOBEC3A (0.35) IRAK4KMT2ARAB9ASMN1; SMN2MEN1

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