SCHEMBL31473152

SCHEMBL31473152

COc1cc(CN2C(=O)C(C)N(C)C(=O)C2CO[Si](C)(C)C(C)(C)C)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.39
FSHR P23945 6/20 0.38
TOP2A P11388 2/20 0.36
CYP3A4 P08684 1/20 0.34
MAPT P10636 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
SCHEMBL30769750 1.00 FKBP1A (0.39) FKBP1AFSHRTOP2ACYP3A4MAPT
SCHEMBL30769573 0.84 DUT (0.31)
SCHEMBL31473168 0.80 FSHR (0.43) FSHR
SCHEMBL31473145 0.74 DUT (0.34) TOP2A
SCHEMBL6997302 0.67 KDM4E (0.40) FKBP1ACYP3A4
SCHEMBL7984606 0.65 KDM4E (0.39) FKBP1ACYP3A4
SCHEMBL31473158 0.65 EHMT2 (0.40)
SCHEMBL9085046 0.61 PTGS2 (0.47) CYP3A4
SCHEMBL31473150 0.59 HDAC1 (0.40) MAPT
SCHEMBL17371460 0.59 ACHE (0.43) FKBP1ATOP2AMAPT

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-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed