SCHEMBL20764835

SCHEMBL20764835

CC(C)(C)[Si](C)(C)OCCc1ccc(Br)s1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
DUT P33316 2/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA1D P25100 1/20 0.30
MAPK1 P28482 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20764803 0.90 DUT (0.39) KDM4ETDP1DUTALDH1A1MAPT
SCHEMBL3127757 0.83 KDM4E (0.37) KDM4ETDP1DUTALDH1A1MAPT
SCHEMBL1246103 0.80 DUT (0.35) DUT
SCHEMBL12970675 0.80 DUT (0.35) DUT
SCHEMBL1247752 0.80 DUT (0.35) DUTALDH1A1HTTKMT2A
SCHEMBL24197440 0.80 DUT (0.38) DUT
SCHEMBL2142085 0.80 DUT (0.35) DUTALDH1A1MAPTADRA1DADRA1A
SCHEMBL2037958 0.77 KDM4E (0.35) KDM4ETDP1ALDH1A1MAPTHTT
SCHEMBL19475200 0.77 DUT (0.32) DUT
SCHEMBL2139606 0.76 DUT (0.35) DUT

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
WO-2019038362-A1 ANTIBACTERIAL PYRROLOIMIDAZOLONES IDORSIA PHARMACEUTICALS LTD (CH) 2019-02-28 WO disclosed