SCHEMBL30779665

SCHEMBL30779665

CC(C)c1cc(C(=O)Nc2ccc3c(ccn3C)c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LRRK2 Q5S007 6/20 0.43
GAA P10253 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
MET P08581 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1868235 1.00 NOTUM (0.49) NOTUMMEN1KMT2ALRRK2GAA
SCHEMBL21644521 0.93 CFTR (0.46) MEN1KMT2ALRRK2GAASGMS2
SCHEMBL30779587 0.93 CFTR (0.46) MEN1KMT2ALRRK2GAASGMS2
SCHEMBL1304732 0.89 NOTUM (0.45) NOTUMMEN1KMT2AMAOBALDH1A1
SCHEMBL14184178 0.87 NOTUM (0.43) NOTUMMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28413819 0.87 NOTUM (0.49) NOTUMMEN1KMT2ALRRK2GAA
SCHEMBL27775771 0.87 MAOB (0.50) NOTUMMEN1KMT2AMAOBNPC1
SCHEMBL12671551 0.86 NOTUM (0.47) NOTUMMEN1KMT2AMAOBNPC1
SCHEMBL30779583 0.85 LRRK2 (0.44) MEN1KMT2ALRRK2GAASGMS2
SCHEMBL21644617 0.85 LRRK2 (0.44) MEN1KMT2ALRRK2GAASGMS2

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