SCHEMBL8109319

SCHEMBL8109319

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1c(Br)nc2cc(C)c(Cl)cc21.Cc1cc2nc(Br)n([C@@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SLC15A1 P46059 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
ERBB2 P04626 1/20 0.30
EPHA2 P29317 1/20 0.30
KDR P35968 1/20 0.30
EPHB4 P54760 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6952185 0.94 LMNA (0.41) LMNASLC15A1POLBGAACA1
SCHEMBL6952973 0.90 LMNA (0.41) LMNASLC15A1POLBGAACA1
SCHEMBL6945517 0.87 LMNA (0.43) LMNASLC15A1POLBGAACA1
SCHEMBL6950961 0.87 LMNA (0.43) LMNASLC15A1POLBGAACA1
SCHEMBL3546641 0.87 LMNA (0.43) LMNASLC15A1POLBGAACA1
SCHEMBL6953709 0.87 LMNA (0.43) LMNASLC15A1POLBGAACA1
SCHEMBL6955423 0.87 LMNA (0.43) LMNASLC15A1POLBGAACA1
SCHEMBL6953996 0.86 MEN1 (0.40) SLC15A1MEN1PABPC1KMT2AHDAC6
SCHEMBL6947607 0.83 LMNA (0.41) LMNASLC15A1POLBGAACA1
SCHEMBL6949800 0.82 LMNA (0.40) LMNASLC15A1POLBGAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994890-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-04-26 EP disclosed
WO-1998056761-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-12-17 WO disclosed