SCHEMBL22907292

SCHEMBL22907292

C#CCN1CCN(c2ccc3c(c2)CN(C(CCC=O)C(=O)NC)C3=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SDCBP O00560 1/20 0.32
▸ SDC2 P34741 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ TP53 P04637 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
SCHEMBL24207225 0.88 ALOX15 (0.38) THRBGAAPOLBKDM4EALOX15
SCHEMBL22906777 0.85 ITGB3 (0.43) THRBGAAPOLBKDM4EALOX15
SCHEMBL23983490 0.83 ITGB3 (0.36) THRBGAAPOLBKDM4EALOX15
SCHEMBL24421185 0.83 ITGB3 (0.35) THRBGAAPOLBKDM4EALOX15
SCHEMBL24678167 0.83 LMNA (0.34) THRBGAAPOLBKDM4EALOX15
SCHEMBL23984162 0.82 ITGB3 (0.39) THRBGAAPOLBKDM4EALOX15
SCHEMBL24421199 0.82 THRB (0.36) THRBGAAPOLBKDM4EALOX15
SCHEMBL27271167 0.80 LMNA (0.37) THRBGAAPOLBKDM4EALOX15
SCHEMBL27370457 0.79 CNR1 (0.39) MAPTALDH1A1LMNA
SCHEMBL25032020 0.78 ALOX15 (0.40) THRBGAAPOLBKDM4EALOX15

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 — — WO disclosed
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