SCHEMBL8991261

SCHEMBL8991261

Cc1ccc(Cn2c(N)c([Se]C(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.49
RPS6KA3 P51812 6/20 0.43
FYN P06241 3/20 0.43
VCP P55072 2/20 0.43
YES1 P07947 2/20 0.41
RPS6KB1 P23443 2/20 0.41
EPHA2 P29317 2/20 0.41
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NR2F2 P24468 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
SCHEMBL8991058 0.90 MAPK1 (0.55) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991284 0.88 KDM4E (0.44) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991162 0.88 KDM4E (0.46) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991379 0.88 KDM4E (0.44) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991288 0.88 MEN1 (0.40) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991133 0.82 HTT (0.45) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991361 0.79 MEN1 (0.46) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991251 0.78 KDM4E (0.49) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991031 0.77 KDM4E (0.41) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991135 0.77 KDM4E (0.35) KDM4EMAPK1TSHRHTTHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed