SCHEMBL7742258

SCHEMBL7742258

CC(C)Nc1nc2ccc(Cl)cc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.57
HSPA8 P11142 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ADORA2B P29275 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ADK P55263 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
SCHEMBL7734525 0.91 HDAC6 (0.57) HDAC6HSPA8MAPTHTTMEN1
SCHEMBL7215020 0.86 HDAC6 (0.74) HDAC6HSPA8ADK
SCHEMBL10308324 0.86 HDAC6 (0.74) HDAC6HSPA8ADK
SCHEMBL7215024 0.86 HDAC6 (0.74) HDAC6HSPA8ADK
SCHEMBL7733484 0.84 HDAC6 (0.49) HDAC6HSPA8ADK
SCHEMBL7114288 0.84 HDAC6 (0.49) HDAC6HSPA8HTR3A
SCHEMBL7117206 0.83 HDAC6 (0.48) HDAC6MAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL7739904 0.83 HDAC6 (0.63) HDAC6HSPA8MAPTSMN1; SMN2
SCHEMBL7734303 0.82 SLC15A1 (0.38) HDAC6HSPA8MAPTMEN1KMT2A
SCHEMBL7740697 0.82 HDAC6 (0.54) HDAC6HSPA8ADK

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