SCHEMBL6538286

SCHEMBL6538286

COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
SLC16A3 O15427 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
RIPK1 Q13546 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 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
SCHEMBL6538001 0.91 TP53 (0.39) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537836 0.91 TYK2 (0.39) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6537916 0.90 TYK2 (0.38) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537517 0.88 JAK2 (0.40) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL6538208 0.88 PTGES (0.42) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537759 0.87 PTGES (0.44) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537695 0.86 PTGES (0.44) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6538012 0.85 PTGES (0.42) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537678 0.85 PTGES (0.42) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537496 0.85 TYK2 (0.41) MEN1KMT2APOLBJAK2JAK1

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