SCHEMBL29024296

SCHEMBL29024296

CCOC(=O)c1cccc(N)c1N(C)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 2/20 0.40
CDC25B P30305 2/20 0.40
KDM4E B2RXH2 6/20 0.39
TSHR P16473 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCZ Q05513 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALOX15 P16050 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL30443795 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10GAACDC25BKDM4E
SCHEMBL2879759 0.89 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EL3MBTL1HPGD
SCHEMBL8417432 0.85 ALDH1A1 (0.41) ALDH1A1GAAKDM4ETSHRL3MBTL1
SCHEMBL9193429 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10GAACDC25BKDM4E
SCHEMBL30660078 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10CDC25BKDM4EL3MBTL1
SCHEMBL3982628 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10CDC25BKDM4EL3MBTL1
SCHEMBL28051503 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10GAACDC25BKDM4E
SCHEMBL8550701 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EL3MBTL1TDP1
SCHEMBL3976382 0.76 SLC6A3 (0.53) ALDH1A1HSD17B10GAAKDM4ETSHR
SCHEMBL7019803 0.75 LTB4R2 (0.41) ALDH1A1HSD17B10CDC25BPRKCIPRKCZ

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-116135839-A Preparation method of azilsartan key intermediate 江苏润安制药有限公司 2023-05-19 CN claimed
CN-116135839-A Preparation method of azilsartan key intermediate 江苏润安制药有限公司 2023-05-19 CN disclosed