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SCHEMBL7424634

SCHEMBL7424634

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.38
▸ SHMT1 P34896 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ SHMT2 P34897 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 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 0.90 SHMT1 (0.43) TP53SHMT1SMN1; SMN2LMNAMAPT
SCHEMBL5869895 0.86 SHMT1 (0.45) TP53SHMT1SMN1; SMN2LMNASHMT2
SCHEMBL5869890 0.86 SHMT1 (0.45) TP53SHMT1SMN1; SMN2LMNASHMT2
SCHEMBL5869889 0.86 SHMT1 (0.45) TP53SHMT1SMN1; SMN2LMNASHMT2
SCHEMBL7424643 0.82 CTSK (0.39) TP53SHMT1SMN1; SMN2LMNAMAPT
SCHEMBL5869648 0.80 ALDH1A1 (0.46) TP53SHMT1SMN1; SMN2LMNAMAPT
SCHEMBL5869659 0.80 ALDH1A1 (0.46) TP53SHMT1SMN1; SMN2LMNAMAPT
SCHEMBL6925810 0.80 ALDH1A1 (0.46) TP53SHMT1SMN1; SMN2LMNAMAPT
SCHEMBL5869664 0.80 ALDH1A1 (0.46) TP53SHMT1SMN1; SMN2LMNAMAPT
SCHEMBL7422281 0.77 SHMT1 (0.39) TP53SHMT1LMNAMAPTSHMT2

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