SCHEMBL28902001

SCHEMBL28902001

c1ccc(CCn2c(-c3cccnc3)nc3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.58
ALDH1A1 P00352 2/20 0.57
PDE6D O43924 1/20 0.57
ALDH2 P05091 1/20 0.57
ALDH3A1 P30838 1/20 0.57
CASR P41180 1/20 0.54
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 3/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP11B1 P15538 1/20 0.49

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
SCHEMBL29411940 1.00 CYP11B2 (0.58) CYP11B2ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL29411897 0.88 ALDH1A1 (0.76) CYP11B2ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL15314762 0.87 ALDH1A1 (0.73) ALDH1A1PDE6DALDH2ALDH3A1CASR
SCHEMBL29411911 0.87 ALDH1A1 (0.73) ALDH1A1PDE6DALDH2ALDH3A1CASR
SCHEMBL12467962 0.85 CYP11B2 (0.54) CYP11B2ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL29411929 0.85 ALDH1A1 (0.61) ALDH1A1PDE6DALDH2ALDH3A1CASR
SCHEMBL12116699 0.82 CYP11B2 (0.70) CYP11B2ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL15567817 0.80 TP53 (0.78) ALDH1A1PDE6DALDH2ALDH3A1CASR
SCHEMBL29412072 0.80 TP53 (0.78) ALDH1A1PDE6DALDH2ALDH3A1CASR
SCHEMBL29411938 0.79 TP53 (0.68) ALDH1A1PDE6DALDH2ALDH3A1CASR

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
CN-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 CN disclosed
CN-111978301-A Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2020-11-24 CN disclosed