SCHEMBL7112588

SCHEMBL7112588

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.63
GLP1R P43220 2/20 0.38
SLC15A1 P46059 1/20 0.38
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
HSPA8 P11142 1/20 0.35
FBP1 P09467 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADK P55263 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
SCHEMBL7112592 1.00 HDAC6 (0.63) HDAC6GLP1RSLC15A1CCNT1CDK9
SCHEMBL7215024 0.89 HDAC6 (0.74) HDAC6GLP1RSLC15A1CCNT1CDK9
SCHEMBL10308324 0.89 HDAC6 (0.74) HDAC6GLP1RSLC15A1CCNT1CDK9
SCHEMBL7215020 0.89 HDAC6 (0.74) HDAC6GLP1RSLC15A1CCNT1CDK9
SCHEMBL7809958 0.88 HDAC6 (0.83) HDAC6GLP1RSLC15A1HSPA8
SCHEMBL7809963 0.88 HDAC6 (0.83) HDAC6GLP1RSLC15A1HSPA8
SCHEMBL7739904 0.81 HDAC6 (0.63) HDAC6SLC15A1CCNT1CDK9HSPA8
SCHEMBL7113212 0.80 HDAC6 (0.62) HDAC6GLP1RSLC15A1CCNT1CDK9
SCHEMBL7739171 0.80 HDAC6 (0.53) HDAC6SLC15A1CCNT1CDK9HSPA8
SCHEMBL7742235 0.80 HDAC6 (0.64) HDAC6GLP1RSLC15A1CCNT1CDK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP claimed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US claimed
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed