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SCHEMBL7424643

SCHEMBL7424643

CC(C)CC(NC(Cc1csc(-c2ccc(F)c(Cl)c2)n1)C(=O)O)C(=O)O.Cc1ccc(-c2nc(C(CNC(CC(C)C)C(=O)O)C(=O)O)cs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.39
▸ SHMT1 P34896 5/20 0.38
▸ SHMT2 P34897 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ACE2 Q9BYF1 4/20 0.34
▸ ACE P12821 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL6834297 0.91 SHMT1 (0.43) SHMT1SHMT2TP53LMNACNR2
SCHEMBL5869895 0.87 SHMT1 (0.45) SHMT1SHMT2TP53LMNACNR2
SCHEMBL5869890 0.87 SHMT1 (0.45) SHMT1SHMT2TP53LMNACNR2
SCHEMBL5869889 0.87 SHMT1 (0.45) SHMT1SHMT2TP53LMNACNR2
SCHEMBL7424634 0.82 TP53 (0.38) SHMT1SHMT2TP53LMNACNR2
SCHEMBL5869648 0.81 ALDH1A1 (0.46) CTSKSHMT1SHMT2TP53LMNA
SCHEMBL5869659 0.81 ALDH1A1 (0.46) CTSKSHMT1SHMT2TP53LMNA
SCHEMBL6925810 0.81 ALDH1A1 (0.46) CTSKSHMT1SHMT2TP53LMNA
SCHEMBL5869664 0.81 ALDH1A1 (0.46) CTSKSHMT1SHMT2TP53LMNA
SCHEMBL7422285 0.78 CTSK (0.47) CTSKSHMT1SHMT2LMNAALDH1A1

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 — — WO claimed