SCHEMBL7721733

SCHEMBL7721733

CCCCCCOc1cc2c(cc1O)nc(-c1ccccc1)n2-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 6/20 0.41
NLRP3 Q96P20 1/20 0.40
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR8 Q9NR97 2/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2327497 0.89 LTB4R (0.48) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL7721735 0.88 SIRT2 (0.45) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL2330597 0.87 LTB4R (0.46) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL2330691 0.85 LTB4R (0.48) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL2328338 0.84 SIRT2 (0.43) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL2326187 0.83 LTB4R (0.46) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL2322879 0.81 SIRT2 (0.43) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL2328696 0.80 ESR1 (0.57) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL7718960 0.80 ESR1 (0.40) SIRT2SIRT1ESR1ESR2ALDH1A1
SCHEMBL7721711 0.79 LTB4R (0.41) SIRT2SIRT1ALDH1A1RAB9ANPSR1

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-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed