SCHEMBL16720271

SCHEMBL16720271

Oc1ccc[c]c1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PIK3CA P42336 2/20 0.39
CA2 P00918 2/20 0.39
QPCT Q16769 2/20 0.39
CA12 O43570 2/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
FYN P06241 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL16720155 0.85 CES2 (0.33) MAPTHPGDSMN1; SMN2POLBKDM4E
SCHEMBL434023 0.84 NOTUM (0.35) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2373478 0.84 SMN1; SMN2 (0.46) MAPTHPGDSMN1; SMN2POLBKDM4E
SCHEMBL12816458 0.82 NOTUM (0.34) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL16720359 0.80 ALDH1A1 (0.40) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL16720251 0.78 CA2 (0.35) MAPTHPGDSMN1; SMN2POLBKDM4E
SCHEMBL6304527 0.77 KCNN4 (0.34) MAPTKDM4EALDH1A1NPC1L3MBTL1
SCHEMBL434625 0.77 KCNN4 (0.36) LMNATDP1MEN1KMT2ANOTUM
SCHEMBL6298885 0.77 ALDH1A1 (0.34) SMN1; SMN2KDM4EALDH1A1HSD17B10PIK3CA
SCHEMBL9988583 0.77 ALDH1A1 (0.46) MAPTHPGDSMN1; SMN2POLBKDM4E

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