SCHEMBL5787641

SCHEMBL5787641

COc1ccc[c]c1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
RELA Q04206 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
AHR P35869 1/20 0.41
FYN P06241 3/20 0.40
RPS6KB1 P23443 1/20 0.40
NFE2L2 Q16236 2/20 0.40
PTGS1 P23219 1/20 0.40
HTR2C P28335 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPK10 P53779 1/20 0.38
KCNH2 Q12809 1/20 0.38
AR P10275 1/20 0.38
PDE4B Q07343 2/20 0.37
TUBB4A P04350 1/20 0.37

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
SCHEMBL7454339 0.83 CA12 (0.38) PDGFRBPDGFRAALDH1A1NFE2L2CYP1A1
SCHEMBL8093284 0.82 HPGD (0.43) RELAKDM4EALDH1A1HPGDHTR2C
SCHEMBL3411791 0.82 CYP1A1 (0.45) PDGFRBPDGFRAKDM4ENFE2L2CYP1A1
SCHEMBL7689020 0.81 SCN9A (0.37) PDGFRBPDGFRAKDM4EKCNH2
SCHEMBL16720325 0.81 SLC6A4 (0.41)
SCHEMBL7683008 0.81 PDE4B (0.39) PDGFRBPDGFRAKDM4EHTR2CKCNH2
SCHEMBL4280847 0.81 KDM1A (0.43) KDM4EALDH1A1HPGDFYN
SCHEMBL5321256 0.81 DHPS (0.44) PDGFRBCYP1A1CYP1A2CYP1B1MAPK10
SCHEMBL16719967 0.80 CYP1A1 (0.42) PDGFRBPDGFRARELAKDM4EALDH1A1
SCHEMBL13858635 0.80 NPSR1 (0.45) KDM4EALDH1A1HPGDPDE4B

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 4 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
EP-1660500-A1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-05-31 EP disclosed
WO-2005014598-A1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-02-17 WO disclosed