SCHEMBL16720171

SCHEMBL16720171

Oc1ccc[c]c1-c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.33
BRAF P15056 1/20 0.33
CYP3A4 P08684 2/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
HSP90AA1 P07900 1/20 0.31
GRM5 P41594 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 1/20 0.30
CA12 O43570 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7498707 0.79 MAPK9 (0.35) BRAFMAPK13RAF1MAPK9MAPK12
SCHEMBL7845170 0.79 CYP2D6 (0.34) CYP3A4MAPK13RAF1MAPK9MAPK12
SCHEMBL16720807 0.79 KDM4E (0.46) CYP3A4HSP90AA1KDM4ENPC1CA12
SCHEMBL16720178 0.74 QDPR (0.44) CYP3A4KDM4ENPC1CA12GMNN
SCHEMBL16719473 0.72 CYP19A1 (0.38) CASP6CYP3A4KDM4ENPC1CA12
SCHEMBL1445131 0.71 CASP6 (0.45) CASP6ALDH1A1HPGDHSD17B10
SCHEMBL30531925 0.71 CASP6 (0.45) CASP6ALDH1A1HPGDHSD17B10
SCHEMBL29464574 0.69 KDM4E (0.42) CASP6BRAFMAPK13RAF1MAPK9
SCHEMBL27576051 0.69 CASP6 (0.44) CASP6BRAFMAPK9MAPK14HSP90AA1
SCHEMBL16719718 0.69 ATM (0.39) CYP3A4KDM4ENPC1CA12GMNN

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed