SCHEMBL8319484

SCHEMBL8319484

COCN1c2cc(C=Cc3ccc(C(=O)O)cc3)ccc2Sc2nccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
ICAM1 P05362 2/20 0.34
APP P05067 1/20 0.34
TBXAS1 P24557 2/20 0.33
XDH P47989 1/20 0.33
PTPN2 P17706 2/20 0.33
PTPN1 P18031 2/20 0.33
ACP1 P24666 2/20 0.33
ENPP2 Q13822 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CXCL12 P48061 1/20 0.33
TTR P02766 1/20 0.33
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL8319481 1.00 HDAC6 (0.42) HDAC6RARARARBRARGCA2
SCHEMBL6747555 0.89 HDAC6 (0.44) HDAC6ICAM1POLBMAPT
SCHEMBL6747171 0.88 PABPC1 (0.41) HDAC6CA2CA9PTPN1POLB
SCHEMBL6747666 0.88 KDM4E (0.40) HDAC6CA2CA5ACA9
SCHEMBL6747174 0.86 HDAC6 (0.34) HDAC6L3MBTL1MAPT
SCHEMBL6749127 0.86 MAPT (0.39) HDAC6MKNK2MAPT
SCHEMBL6749131 0.86 MAPT (0.39) HDAC6MKNK2MAPT
SCHEMBL6752012 0.84 HDAC6 (0.37) HDAC6L3MBTL1MAPT
SCHEMBL6752015 0.84 HDAC6 (0.37) HDAC6L3MBTL1MAPT
SCHEMBL8315505 0.84 HDAC6 (0.45) HDAC6POLBL3MBTL1MAPT

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
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed