SCHEMBL6537835

SCHEMBL6537835

COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Cn1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 4/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AHR P35869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGES O14684 2/20 0.37
TBXAS1 P24557 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6537354 0.91 MEN1 (0.44) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537759 0.85 PTGES (0.44) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6538113 0.85 SMN1; SMN2 (0.44) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537966 0.84 CYP3A4 (0.45) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6538012 0.83 PTGES (0.42) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537678 0.83 PTGES (0.42) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537741 0.83 MEN1 (0.43) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537466 0.83 TBXAS1 (0.42) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6538234 0.82 CYP1A2 (0.41) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537746 0.82 MEN1 (0.42) MEN1CRHBPHTTKMT2ACRHR2

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