SCHEMBL19089846

SCHEMBL19089846

O=S(=O)(Oc1ccc(C23CC4CC(C2)CC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)(C4)C3)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.42
ESR1 P03372 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL6552405 0.91 MEN1 (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL23601663 0.88 MEN1 (0.40) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL27573586 0.85 MEN1 (0.46) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL6202886 0.79 LMNA (0.38) ESR1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL19089847 0.76 ESR1 (0.44) PGRESR1GRIN2DGRIN3BGRIN1
SCHEMBL23040803 0.76 MEN1 (0.36) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL14120878 0.75 LMNA (0.44) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL2611715 0.75 MEN1 (0.45) ALDH1A1MEN1KMT2ARAB9ANPC1
Adamantane SCHEMBL28719949 0.74 CA2 (0.45) MEN1KMT2ALMNADRD2DRD1
SCHEMBL19148922 0.73 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2017116168-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 머티어리얼사이언스 주식회사 2017-07-06 WO disclosed