SCHEMBL6537735

SCHEMBL6537735

O=C(O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.47
HAVCR2 Q8TDQ0 1/20 0.46
MAPT P10636 2/20 0.43
PLEC Q15149 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
JAK2 O60674 4/20 0.42
TYK2 P29597 4/20 0.42
JAK1 P23458 3/20 0.42
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
KDR P35968 1/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
PBRM1 Q86U86 1/20 0.40
CDK1 P06493 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39

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
SCHEMBL8476104 0.86 HAVCR2 (0.50) SLC16A3HAVCR2MAPTPLECKMT2A
SCHEMBL6538082 0.85 JAK2 (0.43) SLC16A3KMT2AMEN1JAK2TYK2
SCHEMBL6537622 0.84 TYK2 (0.42) SLC16A3KMT2AMEN1JAK2TYK2
SCHEMBL6537967 0.83 JAK2 (0.41) SLC16A3KMT2AMEN1JAK2TYK2
SCHEMBL6538276 0.82 JAK2 (0.44) SLC16A3KMT2AMEN1JAK2TYK2
SCHEMBL6537980 0.82 TAS1R3 (0.43) SLC16A3MAPTKMT2AMEN1JAK2
SCHEMBL6537961 0.82 SLC16A3 (0.41) SLC16A3HAVCR2MAPTPLECKMT2A
SCHEMBL6537894 0.81 KMT2A (0.50) SLC16A3HAVCR2MAPTPLECKMT2A
SCHEMBL6538034 0.81 TYK2 (0.45) SLC16A3KMT2AMEN1JAK2TYK2
SCHEMBL6536826 0.81 HAVCR2 (0.45) SLC16A3HAVCR2MAPTPLECKMT2A

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