SCHEMBL5697129

SCHEMBL5697129

CCc1cc2c(n1Cc1ccccc1Br)CCCC2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.71
HPGD P15428 2/20 0.41
LMNA P02545 3/20 0.38
DPP4 P27487 2/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PABPC1 P11940 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RECQL P46063 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL5697188 0.85 BRD4 (0.72) BRD4HPGDLMNAALDH1A1TSHR
SCHEMBL7167441 0.83 BRD4 (1.00) BRD4HPGDLMNAALDH1A1TSHR
SCHEMBL21423949 0.77 BRD4 (0.79) BRD4HPGDLMNAALDH1A1TSHR
SCHEMBL21410145 0.76 BRD4 (0.77) BRD4HPGDLMNAALDH1A1TSHR
SCHEMBL22916953 0.74 BRD4 (0.73) BRD4HPGDLMNAALDH1A1TSHR
SCHEMBL21410459 0.73 BRD4 (0.76) BRD4HPGDLMNAALDH1A1TSHR
SCHEMBL7646032 0.71 BRD4 (0.72) BRD4HPGDLMNAALDH1A1TSHR
SCHEMBL23174938 0.71 BRD4 (0.67) BRD4HPGDALDH1A1TSHRMEN1
SCHEMBL21410242 0.71 BRD4 (0.67) BRD4HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL21410434 0.70 BRD4 (0.66) BRD4HPGDLMNAALDH1A1MEN1

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 1 patent. 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