SCHEMBL5404822

SCHEMBL5404822

COCCN(c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
IRAK4 Q9NWZ3 4/20 0.33
HPGD P15428 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK1 Q13546 1/20 0.31
SYK P43405 2/20 0.31
CFTR P13569 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
SCHEMBL5404818 1.00 ALDH1A1 (0.35) ALDH1A1IRAK4HPGDAPOBEC3AAPOBEC3G
SCHEMBL5410016 0.93 USP2 (0.32) ALDH1A1HPGDAPOBEC3AAPOBEC3GATM
SCHEMBL5332066 0.93 HRH3 (0.33) ALDH1A1HPGDATML3MBTL1SYK
SCHEMBL5332073 0.93 HRH3 (0.33) ALDH1A1HPGDATML3MBTL1SYK
SCHEMBL5410022 0.93 USP2 (0.32) ALDH1A1HPGDAPOBEC3AAPOBEC3GATM
SCHEMBL14542365 0.92 MAPK1 (0.36) ALDH1A1HPGD
SCHEMBL5428541 0.92 APOBEC3A (0.33) ALDH1A1IRAK4HPGDAPOBEC3AAPOBEC3G
SCHEMBL5428546 0.92 APOBEC3A (0.33) ALDH1A1IRAK4HPGDAPOBEC3AAPOBEC3G
SCHEMBL14542079 0.90 KDM4E (0.34) ALDH1A1IRAK4HPGDAPOBEC3AAPOBEC3G
SCHEMBL14541940 0.90 APOBEC3A (0.34) ALDH1A1IRAK4HPGDAPOBEC3AAPOBEC3G

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