SCHEMBL6831386

SCHEMBL6831386

CNC(=S)Nc1c(C)cc(OCCCC(=O)O)cc1NCc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 5/20 0.40
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX12 P18054 3/20 0.38
BCL2L1 Q07817 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PPARG P37231 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6501526 0.91 HDAC1 (0.39) HDAC1HDAC8HDAC6MCL1MAPT
SCHEMBL6501801 0.72 HDAC1 (0.44) HDAC1HDAC8HDAC6RAB9AMAPT
SCHEMBL6499126 0.68 DRD2 (0.39) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6489796 0.68 MAPT (0.42) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL6501594 0.68 MCL1 (0.43) RAB9AMCL1MAPTBCL2L1LMNA
SCHEMBL6487898 0.67 MAPT (0.42) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL7160232 0.67 HDAC1 (0.42) HDAC1HDAC8HDAC6MCL1MEN1
SCHEMBL6490287 0.67 HDAC1 (0.39) HDAC1HDAC8HDAC6RAB9AMAPT
SCHEMBL6490634 0.67 MCL1 (0.46) RAB9AMCL1BCL2L1LMNASMN1; SMN2
SCHEMBL7160239 0.66 HDAC1 (0.42) HDAC1HDAC8HDAC6ALDH1A1LMNA

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
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed