SCHEMBL7742235

SCHEMBL7742235

CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@@H]1F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.64
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
GLP1R P43220 1/20 0.34
TRPV4 Q9HBA0 11/20 0.33
SLC15A1 P46059 1/20 0.32
NT5E P21589 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
SCHEMBL7742232 1.00 HDAC6 (0.64) HDAC6CCNT1CDK9GLP1RTRPV4
SCHEMBL7215024 0.90 HDAC6 (0.74) HDAC6CCNT1CDK9GLP1RTRPV4
SCHEMBL7215020 0.90 HDAC6 (0.74) HDAC6CCNT1CDK9GLP1RTRPV4
SCHEMBL10308324 0.90 HDAC6 (0.74) HDAC6CCNT1CDK9GLP1RTRPV4
SCHEMBL8626709 0.86 HDAC6 (0.83) HDAC6CCNT1CDK9SLC15A1NT5E
SCHEMBL8148684 0.86 HDAC6 (0.83) HDAC6CCNT1CDK9SLC15A1NT5E
SCHEMBL7739904 0.84 HDAC6 (0.63) HDAC6CCNT1CDK9TRPV4SLC15A1
SCHEMBL7742269 0.83 HDAC6 (0.43) HDAC6CCNT1CDK9SLC15A1
SCHEMBL7742274 0.83 HDAC6 (0.43) HDAC6CCNT1CDK9SLC15A1
SCHEMBL7119690 0.81 HDAC6 (0.60) HDAC6CCNT1CDK9GLP1RTRPV4

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