SCHEMBL16719971

SCHEMBL16719971

Oc1ccc[c]c1-c1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.41
KCNN4 O15554 4/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.31
GMNN O75496 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8802231 0.87 DRD1 (0.45) DRD1KCNN4KMT2ASMN1; SMN2HTT
SCHEMBL9988560 0.79 CA1 (0.52) KCNN4KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL16719326 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPOLBCYP3A4
SCHEMBL7689025 0.76 KCNN4 (0.42) DRD1KCNN4KMT2ASMN1; SMN2HTT
SCHEMBL13729018 0.76 DRD1 (0.44) DRD1KCNN4KMT2ASMN1; SMN2HTT
SCHEMBL2373478 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ECA2MAPT
SCHEMBL5329495 0.73 DRD1 (0.45) DRD1KCNN4KMT2ASMN1; SMN2HTT
SCHEMBL363528 0.73 CA2 (0.50) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL16720357 0.73 DRD1 (0.40) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL16720271 0.73 MAPT (0.39) KMT2ASMN1; SMN2ALDH1A1KDM4ECA2

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