SCHEMBL6537764

SCHEMBL6537764

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
CDK14 O94921 2/20 0.36
CCNY Q8ND76 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GHSR Q92847 2/20 0.36
PLK1 P53350 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6537766 1.00 SLC16A3 (0.39) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6538078 0.91 JAK2 (0.38) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6538080 0.91 JAK2 (0.38) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537907 0.88 MAPT (0.44) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6537905 0.88 MAPT (0.44) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6537931 0.87 TYK2 (0.41) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6538343 0.83 SLC16A3 (0.46) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537581 0.81 SLC16A3 (0.42) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL8490281 0.81 HAVCR2 (0.44) SLC16A3JAK2JAK1TYK2MEN1
SCHEMBL6537687 0.81 TYK2 (0.43) 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