SCHEMBL5410022

SCHEMBL5410022

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ATM Q13315 1/20 0.30
SYK P43405 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
SCHEMBL5410016 1.00 USP2 (0.32) USP2KDM4EMEN1ALDH1A1GAA
SCHEMBL5404822 0.93 ALDH1A1 (0.35) ALDH1A1HPGDL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL5404818 0.93 ALDH1A1 (0.35) ALDH1A1HPGDL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL5428546 0.92 APOBEC3A (0.33) USP2KDM4EMEN1ALDH1A1GAA
SCHEMBL5428541 0.92 APOBEC3A (0.33) USP2KDM4EMEN1ALDH1A1GAA
SCHEMBL5332073 0.91 HRH3 (0.33) USP2KDM4EMEN1ALDH1A1GAA
SCHEMBL5332066 0.91 HRH3 (0.33) USP2KDM4EMEN1ALDH1A1GAA
SCHEMBL14542079 0.90 KDM4E (0.34) USP2KDM4EMEN1ALDH1A1GAA
SCHEMBL14541940 0.90 APOBEC3A (0.34) USP2KDM4EMEN1ALDH1A1GAA
SCHEMBL14542081 0.88 OPRM1 (0.32) TDP1APOBEC3AAPOBEC3GSYK

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