SCHEMBL30779606

SCHEMBL30779606

CC(C)c1cc(C(=O)Nc2cccc3ncccc23)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
PABPC1 P11940 3/20 0.50
EIF4H Q15056 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.45
CLK1 P49759 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL21644587 1.00 SMN1; SMN2 (0.62) SMN1; SMN2MAPTKDM4EPABPC1EIF4H
SCHEMBL28409859 0.87 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4EPABPC1EIF4H
SCHEMBL30779622 0.86 LRRK2 (0.48) SMN1; SMN2L3MBTL1LRRK2
SCHEMBL30779643 0.86 LRRK2 (0.47) SMN1; SMN2L3MBTL1LRRK2
SCHEMBL21644641 0.86 LRRK2 (0.47) SMN1; SMN2L3MBTL1LRRK2
SCHEMBL21644624 0.86 LRRK2 (0.48) SMN1; SMN2L3MBTL1LRRK2
SCHEMBL21644670 0.86 KMT2A (0.58) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL21644679 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL30779574 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL30779626 0.86 KMT2A (0.58) SMN1; SMN2MAPTKDM4EMEN1KMT2A

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