SCHEMBL16719992

SCHEMBL16719992

Fc1cccc(-n2ccc3cc[c]cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
KEAP1 Q14145 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
ROCK1 Q13464 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 4/20 0.33
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
METAP2 P50579 1/20 0.33
KCNH2 Q12809 1/20 0.33
BPTF Q12830 1/20 0.32
BIRC5 O15392 1/20 0.32

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
SCHEMBL16720346 0.88 HPGDS (0.39) HPGDSKEAP1FAAHMGLLCDC7
SCHEMBL4276830 0.82 MGLL (0.36) MGLLCDC7CDK2KMT2AROCK2
SCHEMBL16719968 0.82 FGFR1 (0.40) CDC7CDK2KMT2AMAPTROCK2
SCHEMBL16720096 0.82 MAPT (0.42) CDC7CDK2KMT2AMAPTROCK2
SCHEMBL16720656 0.81 KCNH2 (0.45) MGLLCDC7CDK2ROCK1MAPT
SCHEMBL145426 0.80 BIRC5 (0.44) BIRC5
SCHEMBL13045101 0.79 BIRC5 (0.51) HPGDSKEAP1FAAHMGLLCDC7
SCHEMBL16720387 0.78 CFTR (0.38) ROCK2PIM1PIM3
SCHEMBL16720474 0.77 ROCK2 (0.55) ROCK2PIM1PIM3
SCHEMBL16719663 0.76 MAPT (0.34) CDC7CDK2ROCK1MAPTKCNH2

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