SCHEMBL16720914

SCHEMBL16720914

Oc1cccc(-c2nc3c[c]ccc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
PTPN1 P18031 1/20 0.48
PARP1 P09874 1/20 0.47
JAK2 O60674 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
JAK1 P23458 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
TYK2 P29597 1/20 0.45
CCND3 P30281 1/20 0.45
JAK3 P52333 1/20 0.45
SCD O00767 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL16719399 0.83 GAA (0.51) GAAMGAMSIMGAM2SCD
SCHEMBL694906 0.82 NPC1 (0.62) GAAPARP1NPC1RAB9AKDM4E
SCHEMBL7395100 0.80 KDM4E (0.67) GAAMGAMSIMGAM2PTPN1
SCHEMBL2078169 0.79 KDM4E (0.38) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL7396441 0.75 KDM4E (0.54) GAAMGAMSIMGAM2PTPN1
SCHEMBL2124653 0.75 KDM4E (0.66) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL693773 0.75 ALDH1A1 (0.43) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL7429659 0.75 MGAM (0.52) GAAMGAMSIMGAM2PTPN1
SCHEMBL6282502 0.75 GAA (0.53) GAAMGAMSIMGAM2PTPN1
SCHEMBL10742498 0.75 GAA (0.55) GAAMGAMSIMGAM2PTPN1

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