SCHEMBL17550623

SCHEMBL17550623

O=C(O)c1c(F)c(F)c(F)c(I)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ TPMT P51580 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL5671480 0.95 KDM4E (0.35) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL16323633 0.87 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL203915 0.84 CES2 (0.43) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
Hydrochloric Acid SCHEMBL11033629 0.81 CES2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL336420 0.81 CES2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL16756190 0.81 CES2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL2150002 0.81 CES2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
Ammonia Solution, Strong SCHEMBL20291864 0.81 CES2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL28389339 0.81 CES2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL7776700 0.81 CES2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2

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-2016030329-A1 METHOD FOR THE PRODUCTION OF 18F-LABELED ACTIVE ESTERS AND THEIR APPLICATION EXEMPLIFIED BY THE PREPARATION OF A PSMA-SPECIFIC PET-TRACER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-03-03 — — WO disclosed
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