SCHEMBL7734525

SCHEMBL7734525

CC(C)Nc1nc2cc(Cl)ccc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.57
HSPA8 P11142 1/20 0.36
BACE1 P56817 3/20 0.34
ADORA2B P29275 5/20 0.34
CYP3A4 P08684 2/20 0.34
ADORA2A P29274 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ADK P55263 1/20 0.33
TRPV4 Q9HBA0 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
SCHEMBL7742258 0.91 HDAC6 (0.57) HDAC6HSPA8ADORA2BMEN1MAPT
SCHEMBL10308324 0.86 HDAC6 (0.74) HDAC6HSPA8ADKTRPV4
SCHEMBL7215024 0.86 HDAC6 (0.74) HDAC6HSPA8ADKTRPV4
SCHEMBL7215020 0.86 HDAC6 (0.74) HDAC6HSPA8ADKTRPV4
SCHEMBL7734310 0.85 HDAC6 (0.50) HDAC6HSPA8MEN1KMT2AADK
SCHEMBL7734332 0.85 HDAC6 (0.50) HDAC6HSPA8ADKTRPV4
SCHEMBL7114052 0.84 HDAC6 (0.49) HDAC6HSPA8MEN1KMT2ATRPV4
SCHEMBL7739904 0.83 HDAC6 (0.63) HDAC6HSPA8MAPTTRPV4
SCHEMBL7739913 0.82 SLC15A1 (0.38) HDAC6HSPA8ADORA2BKMT2AADK
SCHEMBL7740697 0.82 HDAC6 (0.54) HDAC6HSPA8ADKTRPV4

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