SCHEMBL7742234

SCHEMBL7742234

CC(C)Nc1nc2cc(F)c(F)c(F)c2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
HSPA8 P11142 1/20 0.36
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FBP1 P09467 1/20 0.33
ACACB O00763 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL7114449 0.86 HDAC6 (0.52) HDAC6HSPA8
SCHEMBL7738034 0.84 HDAC6 (0.56) HDAC6HSPA8LMNATSHRMAPT
SCHEMBL7115138 0.82 HDAC6 (0.47) HDAC6HSPA8LMNATSHRMAPT
SCHEMBL7118668 0.81 ACACB (0.36) HDAC6ACACB
SCHEMBL7739904 0.81 HDAC6 (0.63) HDAC6HSPA8LMNATSHRMAPT
SCHEMBL7215020 0.75 HDAC6 (0.74) HDAC6HSPA8FBP1
SCHEMBL10308324 0.75 HDAC6 (0.74) HDAC6HSPA8FBP1
SCHEMBL7215024 0.75 HDAC6 (0.74) HDAC6HSPA8FBP1
SCHEMBL7116242 0.74 HDAC6 (0.55) HDAC6HSPA8FBP1
SCHEMBL7734525 0.73 HDAC6 (0.57) HDAC6HSPA8MAPT

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