SCHEMBL5697188

SCHEMBL5697188

CCc1cc2c(n1Cc1ccccc1-c1ccccc1)CCCC2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.72
HPGD P15428 2/20 0.47
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL5697129 0.85 BRD4 (0.71) BRD4HPGDLMNAALDH1A1MEN1
SCHEMBL7167441 0.84 BRD4 (1.00) BRD4HPGDLMNAALDH1A1MEN1
SCHEMBL21423949 0.75 BRD4 (0.79) BRD4HPGDLMNAALDH1A1MEN1
SCHEMBL21410145 0.74 BRD4 (0.77) BRD4HPGDLMNAALDH1A1MEN1
SCHEMBL21410459 0.74 BRD4 (0.76) BRD4HPGDLMNAALDH1A1MEN1
SCHEMBL22916953 0.72 BRD4 (0.73) BRD4HPGDLMNAALDH1A1MEN1
SCHEMBL7646032 0.71 BRD4 (0.72) BRD4HPGDLMNAALDH1A1HTT
SCHEMBL11808831 0.71 HPGD (0.73) BRD4HPGDLMNAALDH1A1MEN1
SCHEMBL23174938 0.69 BRD4 (0.67) BRD4HPGDALDH1A1MEN1KMT2A
SCHEMBL21410242 0.69 BRD4 (0.67) BRD4HPGDLMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100492-B1 INDOLE sPLA2 INHIBITORS LILLY CO ELI (US) 2006-05-24 EP disclosed
US-6451839-B1 Indole sPLA2 inhibitors ELI LILLY AND COMPANY 2002-09-17 US disclosed