SCHEMBL7734310

SCHEMBL7734310

COc1ccc2c(c1)nc(NC(C)C)n2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.50
IDH1 O75874 6/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CLK1 P49759 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSPA8 P11142 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.37
ADK P55263 2/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7734525 0.85 HDAC6 (0.57) HDAC6HSPA8ADKMEN1KMT2A
SCHEMBL7734332 0.83 HDAC6 (0.50) HDAC6IDH1HSPA8ADK
SCHEMBL7114052 0.82 HDAC6 (0.49) HDAC6IDH1SMN1; SMN2HSPA8MEN1
SCHEMBL7740717 0.81 TDP1 (0.38) IDH1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL7215020 0.80 HDAC6 (0.74) HDAC6HSPA8ADK
SCHEMBL7738034 0.80 HDAC6 (0.56) HDAC6SMN1; SMN2HSPA8
SCHEMBL7215024 0.80 HDAC6 (0.74) HDAC6HSPA8ADK
SCHEMBL10308324 0.80 HDAC6 (0.74) HDAC6HSPA8ADK
SCHEMBL7742258 0.78 HDAC6 (0.57) HDAC6ALDH1A1SMN1; SMN2GAAHSPA8
SCHEMBL7733484 0.78 HDAC6 (0.49) HDAC6IDH1HSPA8ADK

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
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed