SCHEMBL7740607

SCHEMBL7740607

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.59
GLP1R P43220 2/20 0.38
TRPV4 Q9HBA0 9/20 0.34
HSPA8 P11142 1/20 0.33
SLC15A1 P46059 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
FBP1 P09467 1/20 0.30
IDH1 O75874 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL7739938 0.96 HDAC6 (0.59) HDAC6GLP1RTRPV4HSPA8SLC15A1
SCHEMBL7215024 0.88 HDAC6 (0.74) HDAC6GLP1RTRPV4HSPA8SLC15A1
SCHEMBL7215020 0.88 HDAC6 (0.74) HDAC6GLP1RTRPV4HSPA8SLC15A1
SCHEMBL10308324 0.88 HDAC6 (0.74) HDAC6GLP1RTRPV4HSPA8SLC15A1
SCHEMBL7739904 0.84 HDAC6 (0.63) HDAC6TRPV4HSPA8SLC15A1CCNT1
SCHEMBL7740700 0.83 HDAC6 (0.45) HDAC6GLP1RTRPV4
SCHEMBL7113212 0.83 HDAC6 (0.62) HDAC6GLP1RHSPA8SLC15A1CCNT1
SCHEMBL7115561 0.81 HDAC6 (0.60) HDAC6TRPV4HSPA8SLC15A1CCNT1
SCHEMBL7734525 0.79 HDAC6 (0.57) HDAC6TRPV4HSPA8
SCHEMBL7742258 0.79 HDAC6 (0.57) HDAC6HSPA8

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 3 patents. 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
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 WO disclosed