SCHEMBL30779583

SCHEMBL30779583

CC(C)c1cc(C(=O)Nc2cnc3c(ccn3C)c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.44
SGMS2 Q8NHU3 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL21644617 1.00 LRRK2 (0.44) LRRK2SGMS2MEN1KMT2AGAA
SCHEMBL21644608 0.88 LRRK2 (0.46) LRRK2SGMS2MEN1KMT2AGAA
SCHEMBL30779637 0.88 LRRK2 (0.46) LRRK2SGMS2MEN1KMT2AGAA
SCHEMBL30779665 0.85 NOTUM (0.49) LRRK2SGMS2MEN1KMT2AGAA
SCHEMBL1868235 0.85 NOTUM (0.49) LRRK2SGMS2MEN1KMT2AGAA
SCHEMBL21644716 0.84 KDR (0.52) LRRK2SGMS2MEN1KMT2A
SCHEMBL30779598 0.84 KDR (0.52) LRRK2SGMS2MEN1KMT2A
SCHEMBL21644521 0.84 CFTR (0.46) LRRK2SGMS2MEN1KMT2AGAA
SCHEMBL30779587 0.84 CFTR (0.46) LRRK2SGMS2MEN1KMT2AGAA
SCHEMBL21644625 0.83 SGMS2 (0.47) LRRK2SGMS2MEN1KMT2AGAA

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-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed