SCHEMBL6537581

SCHEMBL6537581

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
TYK2 P29597 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B1 P15121 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
AKR1B10 O60218 1/20 0.38
UGT1A9 O60656 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
TTR P02766 1/20 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
SCHEMBL6537856 0.91 TYK2 (0.40) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537435 0.90 MEN1 (0.40) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6538162 0.90 SLC16A3 (0.42) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537711 0.90 TYK2 (0.42) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537622 0.90 TYK2 (0.42) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6538276 0.89 JAK2 (0.44) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6538125 0.88 SLC16A3 (0.41) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537806 0.87 JAK2 (0.40) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6538164 0.87 PTGES (0.43) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537689 0.87 SLC16A3 (0.40) SLC16A3JAK2JAK1TYK2MEN1

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