SCHEMBL6537386

SCHEMBL6537386

CCOC(=O)COc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
POLB P06746 3/20 0.51
LMNA P02545 2/20 0.51
NLRP3 Q96P20 1/20 0.44
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
TYK2 P29597 4/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6537785 0.87 TYK2 (0.44) MAPTPOLBLMNAJAK2JAK1
SCHEMBL6537682 0.86 TYK2 (0.47) MAPTJAK2JAK1TYK2MEN1
SCHEMBL6537664 0.85 POLB (0.45) MAPTPOLBLMNANLRP3JAK2
SCHEMBL6537958 0.83 SMN1; SMN2 (0.48) MAPTPOLBLMNAJAK2JAK1
SCHEMBL6537597 0.82 HSD17B10 (0.55) MAPTPOLBLMNAJAK2JAK1
SCHEMBL6537799 0.80 TYK2 (0.44) MAPTPOLBLMNAJAK2JAK1
SCHEMBL6538096 0.80 PPIA (0.49) MAPTLMNAJAK2JAK1TYK2
SCHEMBL6537947 0.80 TYK2 (0.46) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6537800 0.80 TYK2 (0.46) MAPTPOLBLMNAJAK2JAK1
SCHEMBL6537462 0.79 TYK2 (0.49) MAPTPOLBLMNAJAK2JAK1

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