SCHEMBL6538347

SCHEMBL6538347

COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1OCc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HTT P42858 4/20 0.40
GFER P55789 1/20 0.40
GPR132 Q9UNW8 1/20 0.39
GAA P10253 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGES O14684 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL6537937 0.85 PTGES (0.41) HTTJAK2JAK1TYK2KDM4E
SCHEMBL6538049 0.85 POLB (0.44) LMNAHTTJAK2JAK1TYK2
SCHEMBL6537695 0.82 PTGES (0.44) HTTGAAJAK2JAK1TYK2
SCHEMBL6537759 0.81 PTGES (0.44) LMNAHTTJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL6538275 0.81 HTT (0.48) LMNAHTTGFERGAAJAK2
SCHEMBL6538012 0.79 PTGES (0.42) HTTJAK2JAK1TYK2KDM4E
SCHEMBL6537678 0.79 PTGES (0.42) HTTJAK2JAK1TYK2KDM4E
SCHEMBL6537792 0.78 GHSR (0.43) HTTJAK2JAK1TYK2KDM4E
SCHEMBL6538208 0.78 PTGES (0.42) HTTJAK2JAK1TYK2KDM4E
SCHEMBL6537921 0.78 PTGES (0.39) HTTJAK2JAK1TYK2KDM4E

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-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed