SCHEMBL6947607

SCHEMBL6947607

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1c(Br)nc2cc(F)c(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
ACACB O00763 2/20 0.36
SLC15A1 P46059 1/20 0.35
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
ERBB2 P04626 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
PTPN1 P18031 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
SCHEMBL6952010 0.96 LMNA (0.41) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6950961 0.92 LMNA (0.43) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6955423 0.92 LMNA (0.43) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6952813 0.92 LMNA (0.43) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6945517 0.92 LMNA (0.43) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6953709 0.92 LMNA (0.43) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL3546641 0.92 LMNA (0.43) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6952185 0.89 LMNA (0.41) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6952973 0.87 LMNA (0.41) LMNAPOLBGAACYP3A4CYP2C9
SCHEMBL6949800 0.87 LMNA (0.40) LMNAPOLBGAACYP3A4CYP2C9

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-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-08-06 EP disclosed
US-6455507-B1 E.G., 2-BROMO-5,6-DICHLORO-1-BETA-D-RIBOPYRANOSYL-1H-BENZIMIDAZOLE; VIRICIDES, ESPECIALLY INFECTIONS OF HERPES AND CYTOMEGALO VIRUSES SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed