SCHEMBL7740697

SCHEMBL7740697

CC(C)Nc1nc2c(Cl)cc(Cl)cc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
HSPA8 P11142 1/20 0.40
ADORA3 P0DMS8 1/20 0.37
FBP1 P09467 1/20 0.35
TRPV4 Q9HBA0 15/20 0.35
ADK P55263 1/20 0.32

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
SCHEMBL7210077 0.86 HDAC6 (0.74) HDAC6HSPA8ADORA3
SCHEMBL7210083 0.86 HDAC6 (0.74) HDAC6HSPA8ADORA3
SCHEMBL7116242 0.85 HDAC6 (0.55) HDAC6HSPA8ADORA3FBP1TRPV4
SCHEMBL7215020 0.84 HDAC6 (0.74) HDAC6HSPA8ADORA3FBP1TRPV4
SCHEMBL7215024 0.84 HDAC6 (0.74) HDAC6HSPA8ADORA3FBP1TRPV4
SCHEMBL10308324 0.84 HDAC6 (0.74) HDAC6HSPA8ADORA3FBP1TRPV4
SCHEMBL7114592 0.84 HDAC6 (0.54) HDAC6HSPA8ADORA3TRPV4
SCHEMBL7734525 0.82 HDAC6 (0.57) HDAC6HSPA8TRPV4ADK
SCHEMBL7742258 0.82 HDAC6 (0.57) HDAC6HSPA8ADK
SCHEMBL7734307 0.82 HDAC6 (0.49) HDAC6HSPA8ADORA3FBP1TRPV4

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