SCHEMBL4747448

SCHEMBL4747448

FC(F)(F)c1cc(-c2cccnc2)nn1-c1ccc([AsH2])nn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.62
USP8 P40818 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LDHA P00338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PTGER1 P34995 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.37
ALOX5 P09917 1/20 0.37
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PIM1 P11309 1/20 0.35
CYP2A6 P11509 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
SCHEMBL4249881 0.86 EPHX2 (0.62) EPHX2USP8KDM4ELDHAALDH1A1
SCHEMBL14507851 0.86 EPHX2 (0.62) EPHX2USP8KDM4ELDHAALDH1A1
SCHEMBL4252960 0.82 EPHX2 (0.63) EPHX2KDM4ELDHAALDH1A1POLB
SCHEMBL4250848 0.79 EPHX2 (0.62) EPHX2USP8KDM4ELDHAALDH1A1
SCHEMBL4248700 0.78 EPHX2 (0.91) EPHX2L3MBTL1ALOX5TBXAS1SLC6A3
SCHEMBL4252762 0.78 EPHX2 (0.53) EPHX2USP8ALDH1A1POLBL3MBTL1
SCHEMBL4249803 0.77 EPHX2 (0.63) EPHX2USP8KDM4ELDHAALDH1A1
SCHEMBL4250817 0.77 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246800 0.77 EPHX2 (1.00) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14507636 0.76 EPHX2 (0.73) EPHX2KDM4ELDHAALDH1A1POLB

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-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed