SCHEMBL26602811

SCHEMBL26602811

O=P(O)(O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PGK1 P00558 1/20 0.40
▸ PGK2 P07205 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL26665282 0.86 AKR1C3 (0.43) CA12CA1MMP2AKR1C3AKR1C2
SCHEMBL29074750 0.75 ALDH1A1 (0.50) AKR1C3AKR1C2MAPTXBP1NPSR1
SCHEMBL26665296 0.75 MAPT (0.43) AKR1C3AKR1C2MAPTXBP1NPSR1
SCHEMBL26602983 0.74 LIPE (0.42) CA12CA1MMP2AKR1C3AKR1C2
SCHEMBL21053182 0.73 NOTUM (0.58) AKR1C3AKR1C2MAPTXBP1NPSR1
SCHEMBL26602926 0.73 TEAD1 (0.64) CA12CA1MMP2AKR1C3AKR1C2
SCHEMBL4068683 0.73 PGK1 (0.50) CA12CA1MMP2PGK1PGK2
SCHEMBL20779892 0.71 TEAD1 (0.62) CA12CA1AKR1C3AKR1C2MAPT
SCHEMBL25042639 0.71 SMN1; SMN2 (0.51) AKR1C3MAPTXBP1NPSR1SMN1; SMN2
SCHEMBL30482561 0.71 SMN1; SMN2 (0.51) AKR1C3MAPTXBP1NPSR1SMN1; SMN2

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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