SCHEMBL31326540

SCHEMBL31326540

Cn1ccnc1-c1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
EDNRA P25101 1/20 0.36
MAPK14 Q16539 1/20 0.35
SMO Q99835 1/20 0.35
BRD4 O60885 1/20 0.35
PDK1 Q15118 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.34
ACLY P53396 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Hydrochloric Acid SCHEMBL28830016 0.76 HDAC4 (0.51) HDAC4EDNRAMAPK14BRD4PDK1
SCHEMBL9281044 0.75 HDAC4 (0.54) HDAC4EDNRABRD4PDK1KMT2A
SCHEMBL704145 0.74 CA4 (0.37) ALDH1A1SMN1; SMN2L3MBTL1ESR1
SCHEMBL786747 0.74 HDAC4 (0.52) HDAC4EDNRAMAPK14BRD4PDK1
SCHEMBL21978463 0.74 HPGDS (0.46)
SCHEMBL5921550 0.73 HDAC4 (0.51) HDAC4EDNRAMAPK14BRD4PDK1
SCHEMBL31326473 0.72 MAPT (0.59) MAPK14SMOPDK1KMT2AMEN1
SCHEMBL31326494 0.72 ALDH1A3 (0.34) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL21978355 0.72 CYP1A2 (0.38) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL27600931 0.72 CA4 (0.46) KMT2AMEN1KDM4EALDH1A1RAB9A

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
CN-113166114-B Cyclic tetramer compounds as inhibitors of proprotein convertase subtilisin/KEXIN type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-03 CN disclosed