SCHEMBL16720122

SCHEMBL16720122

COc1ccc(-n2ccc3c[c]ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
BIRC5 O15392 1/20 0.36
ROCK1 Q13464 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 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
SCHEMBL4273291 0.88 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL16719859 0.84 FGFR1 (0.43) ALDH1A1HTTPKMROCK1AURKA
SCHEMBL16720318 0.82 BIRC5 (0.39) BIRC5ROCK1
SCHEMBL16719889 0.81 CYP11B1 (0.40) ROCK1CYP1A2CYP2C9PTGS2MAPT
SCHEMBL16720510 0.81 EGFR (0.37) ALDH1A1SMN1; SMN2HPGDKDM4EROCK1
SCHEMBL16720230 0.81 KCNH2 (0.35) ALDH1A1SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL16719598 0.81 ATM (0.39) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL693515 0.81 POLB (0.36) ALDH1A1LMNAKDM4EBIRC5PTGS2
SCHEMBL16720329 0.79 BIRC5 (0.59) ALDH1A1HTTBIRC5MAPT
SCHEMBL16719625 0.79 BIRC5 (0.39) LMNABIRC5FGFR1PTGS1

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