SCHEMBL22052033

SCHEMBL22052033

c1ccc(CCOCCCCCCCCCCOC[SiH2]c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
IDO1 P14902 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL28130088 0.76 IDO1 (0.61) MEN1KMT2AHRH3IDO1SIGMAR1
SCHEMBL7449325 0.76 TDP1 (0.61) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL626848 0.76 TDP1 (0.61) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL7449055 0.76 TDP1 (0.61) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL8048487 0.76 TDP1 (0.61) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL7448881 0.76 TDP1 (0.61) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL198134 0.75 TSHR (0.52) TDP1MEN1KMT2AHRH3IDO1
SCHEMBL18301299 0.75 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL22873145 0.75 HTR2A (0.50) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL9021210 0.75 TDP1 (0.45) TDP1L3MBTL1MEN1KMT2AHRH3

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-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 WO disclosed