SCHEMBL6537759

SCHEMBL6537759

COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1COC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SLC16A3 O15427 1/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
RIPK1 Q13546 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6538164 0.95 PTGES (0.43) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537678 0.94 PTGES (0.42) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6538012 0.94 PTGES (0.42) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537695 0.90 PTGES (0.44) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6538286 0.87 PTGES (0.41) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537544 0.86 PTGES (0.37) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6538208 0.86 PTGES (0.42) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537937 0.85 PTGES (0.41) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537835 0.85 MEN1 (0.41) PTGESMEN1KMT2APOLBJAK2
SCHEMBL6537719 0.83 PTGES (0.40) PTGESMEN1KMT2APOLBJAK2

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 2 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