SCHEMBL8991185

SCHEMBL8991185

CC(C)(C)c1ccc(Cn2c(N)c(SC(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR9 P51686 5/20 0.39
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
RET P07949 8/20 0.37
DOT1L Q8TEK3 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL8991097 0.89 CCR9 (0.37) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991429 0.85 MAPK1 (0.54) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991022 0.85 KDM4E (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991169 0.81 MAPK1 (0.45) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991379 0.81 KDM4E (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991108 0.81 KDM4E (0.46) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991371 0.80 MAPK1 (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7704457 0.79 FLT3 (0.41) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL8991491 0.77 HTT (0.42) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991147 0.77 GAA (0.39) KDM4ETSHRMAPK1HTTHSD17B10

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