SCHEMBL5332066

SCHEMBL5332066

C[C@H]1CC[C@H](C(=O)N(CCOc2ccccc2)c2nn(-c3ccc(-c4cc5ncccn5n4)cc3)cc2C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.33
LMNA P02545 2/20 0.33
SYK P43405 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 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

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
SCHEMBL5332073 1.00 HRH3 (0.33) HRH3LMNASYKPPARGPPARA
SCHEMBL5404822 0.93 ALDH1A1 (0.35) SYKL3MBTL1ATMALDH1A1HPGD
SCHEMBL5404818 0.93 ALDH1A1 (0.35) SYKL3MBTL1ATMALDH1A1HPGD
SCHEMBL5410016 0.91 USP2 (0.32) SYKL3MBTL1ATMMAPTKDM4E
SCHEMBL5410022 0.91 USP2 (0.32) SYKL3MBTL1ATMMAPTKDM4E
SCHEMBL5428546 0.90 APOBEC3A (0.33) SYKL3MBTL1MAPTKDM4EMEN1
SCHEMBL5428541 0.90 APOBEC3A (0.33) SYKL3MBTL1MAPTKDM4EMEN1
SCHEMBL14542079 0.89 KDM4E (0.34) SYKL3MBTL1MAPTKDM4EMEN1
SCHEMBL14541940 0.89 APOBEC3A (0.34) SYKL3MBTL1ATMMAPTKDM4E
SCHEMBL14542081 0.88 OPRM1 (0.32) SYKTDP1

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