SCHEMBL20535012

SCHEMBL20535012

N#Cc1cccc(-c2ccc3c(N)c(C(N)=O)oc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.45
XDH P47989 2/20 0.44
SLC22A12 Q96S37 1/20 0.44
CSF1R P07333 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
MAP4K4 O95819 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
CDC7 O00311 1/20 0.39
PTPN5 P54829 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PAX8 Q06710 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
SCHEMBL20535952 0.90 ALDH1A1 (0.52) PGRXDHSLC22A12CSF1RKDM4E
SCHEMBL20535051 0.88 KDM4E (0.46) PGRCSF1RKDM4EALDH1A1HPGD
SCHEMBL13699672 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL13335731 0.82 PLG (0.41) PGRXDHSLC22A12CSF1RMAP4K4
SCHEMBL13335691 0.81 XDH (0.42) PGRXDHSLC22A12CSF1RMAP4K4
SCHEMBL20535696 0.81 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL3317797 0.81 XDH (0.41) PGRXDHSLC22A12CSF1RKDM4E
SCHEMBL13335708 0.81 MAPT (0.43) PGRXDHSLC22A12CSF1RKDM4E
SCHEMBL20534832 0.79 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL13335722 0.79 XDH (0.40) PGRXDHSLC22A12CSF1RMAP4K4

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
WO-2018189683-A1 BENZOFURAN DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 WO claimed
WO-2018189683-A1 BENZOFURAN DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 WO disclosed