SCHEMBL7739251

SCHEMBL7739251

C=Cc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
SLC15A1 P46059 1/20 0.31
ACHE P22303 2/20 0.31
ADORA2B P29275 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9419631 0.86 HDAC6 (0.35) HDAC6CCNT1CDK9SLC15A1ACHE
SCHEMBL9419671 0.86 HDAC6 (0.35) HDAC6CCNT1CDK9SLC15A1ACHE
SCHEMBL9387641 0.86 HDAC6 (0.35) HDAC6CCNT1CDK9SLC15A1ACHE
SCHEMBL7209028 0.84 SLC15A1 (0.43) HDAC6CCNT1CDK9SLC15A1ACHE
SCHEMBL7123962 0.84 SLC15A1 (0.43) HDAC6CCNT1CDK9SLC15A1ACHE
SCHEMBL7734416 0.84 SLC15A1 (0.43) HDAC6CCNT1CDK9SLC15A1ACHE
SCHEMBL7733386 0.81 HDAC6 (0.32) HDAC6CCNT1CDK9SLC15A1ADORA2B
SCHEMBL7734328 0.79 HDAC6 (0.45) HDAC6CCNT1CDK9SLC15A1
SCHEMBL7741960 0.75 ALDH1A1 (0.34) ACHEALDH1A1LMNATP53MAPT
SCHEMBL7740690 0.75 SLC15A1 (0.41) HDAC6CCNT1CDK9SLC15A1ADORA2B

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