SCHEMBL26665296

SCHEMBL26665296

FC(F)(F)c1ccc(Nc2ccc(I)cc2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ TEAD1 P28347 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ YAP1 P46937 1/20 0.36
▸ KIF11 P52732 1/20 0.36

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
SCHEMBL22719794 0.83 MPO (0.53) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL29074750 0.81 ALDH1A1 (0.50) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL20767101 0.77 KIF11 (0.45) MAPTTRPV1KDM4EMEN1ALDH1A1
SCHEMBL30410880 0.77 KIF11 (0.45) MAPTTRPV1KDM4EMEN1ALDH1A1
SCHEMBL25042639 0.76 SMN1; SMN2 (0.51) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL30482561 0.76 SMN1; SMN2 (0.51) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL26602811 0.75 CA12 (0.43) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL26665282 0.75 AKR1C3 (0.43) MAPTTRPV1KDM4EMEN1ALDH1A1
SCHEMBL20779892 0.74 TEAD1 (0.62) MAPTMEN1ALDH1A1KMT2AAKR1C3
SCHEMBL21053182 0.73 NOTUM (0.58) MAPTTRPV1KDM4EMEN1GAA

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-2023204822-A1 PHENYL PHOSPHINE OXIDE COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
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