SCHEMBL1720776

SCHEMBL1720776

FC(F)(F)Sc1ccc(CNc2noc3nc4ccccc4cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.44
PTPN1 P18031 2/20 0.44
EPHX2 P34913 1/20 0.44
IDO1 P14902 1/20 0.42
APP P05067 2/20 0.38
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
USP1 O94782 5/20 0.35
WDR48 Q8TAF3 5/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
RAD52 P43351 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL1720781 0.79 EPHX2 (0.44) PTPRZ1PTPN1EPHX2APPMAPT
SCHEMBL1721575 0.79 PTPRZ1 (0.43) PTPRZ1PTPN1EPHX2MAPTMEN1
SCHEMBL2769324 0.78 EPHX2 (0.70) PTPRZ1PTPN1EPHX2APPMAPT
SCHEMBL1721505 0.77 EPHX2 (0.47) PTPRZ1PTPN1EPHX2MAPTSMN1; SMN2
SCHEMBL2768550 0.73 EPHX2 (0.50) PTPRZ1PTPN1EPHX2USP1WDR48
SCHEMBL2768924 0.73 EPHX2 (0.50) PTPRZ1PTPN1EPHX2MEN1KMT2A
SCHEMBL2767896 0.72 EPHX2 (0.49) PTPRZ1PTPN1EPHX2MEN1KMT2A
SCHEMBL1721129 0.70 EPHX2 (0.50) PTPRZ1PTPN1EPHX2
SCHEMBL1720758 0.70 EPHX2 (0.50) PTPRZ1PTPN1EPHX2
SCHEMBL1720963 0.69 EPHX2 (0.50) PTPRZ1PTPN1EPHX2LMNASMN1; SMN2

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-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP claimed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO claimed
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed