SCHEMBL5158855

SCHEMBL5158855

CCCCNc1c(C(=O)O)ccnc1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.56
▸ KDM6B O15054 2/20 0.56
▸ ASPH Q12797 8/20 0.51
▸ KDM8 Q8N371 8/20 0.51
▸ MAPK8 P45983 3/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ HCAR3 P49019 2/20 0.47
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL11483905 0.75 KDM6B (0.45) KDM4CKDM6BMAPK8KDM4EHCAR3
SCHEMBL28859305 0.73 POLB (0.50) KDM4CKDM6BMAPK8KDM4EHCAR3
SCHEMBL11035377 0.73 TLR8 (0.45) HCAR3TLR8
SCHEMBL17378640 0.72 KDM4C (1.00) KDM4CKDM6BKDM4E
SCHEMBL28310186 0.72 CNR2 (0.50) KDM4CKDM6BMAPK8HCAR3CA12
SCHEMBL15635912 0.72 KDM4E (0.62) KDM4CKDM6BMAPK8KDM4EHCAR3
SCHEMBL11087674 0.71 MAPK8 (0.51) KDM4CKDM6BMAPK8HCAR3
SCHEMBL11344172 0.69 KDM4D (0.76) KDM4CKDM6BASPHKDM8MAPK8
SCHEMBL28278344 0.69 CA12 (0.49) KDM4CKDM6BASPHKDM8KDM4E
SCHEMBL28001041 0.69 ASPH (0.51) KDM4CKDM6BASPHKDM8MAPK8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
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