SCHEMBL16719972

SCHEMBL16719972

Oc1c[c]ccc1-c1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.41
KMT2A Q03164 1/20 0.36
KCNN4 O15554 4/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
TNF P01375 1/20 0.31
FABP7 O15540 1/20 0.31
FABP3 P05413 1/20 0.31
FABP5 Q01469 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
EPAS1 Q99814 1/20 0.30
POLB P06746 1/20 0.30
ALOX12 P18054 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
SCHEMBL8802236 0.87 DRD1 (0.45) DRD1KMT2AKCNN4HTTSMN1; SMN2
SCHEMBL16719916 0.79 TP53 (0.47) KMT2AKCNN4HTTSMN1; SMN2ALDH1A1
SCHEMBL16719327 0.78 ALDH1A1 (0.40) KCNN4ALDH1A1KDM4EMAPTPOLB
SCHEMBL5184448 0.78
SCHEMBL7683316 0.76 KCNN4 (0.42) DRD1KMT2AKCNN4HTTSMN1; SMN2
SCHEMBL2373481 0.75 ALDH1A1 (0.44) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL534483 0.75 DRD1 (0.58) DRD1KMT2AKCNN4ADRA2AADRA2B
SCHEMBL16720358 0.73 DRD1 (0.40) DRD1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL7678739 0.73 KCNN4 (0.45) DRD1KMT2AKCNN4HTTSMN1; SMN2
SCHEMBL9987691 0.73 KDM4E (0.39) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E

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