SCHEMBL30005983

SCHEMBL30005983

CN(c1ccc(CNC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 2/20 0.39
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGDR Q13258 2/20 0.37
RAB9A P51151 2/20 0.37
TGM2 P21980 3/20 0.37
F13A1 P00488 2/20 0.37
TGM1 P22735 2/20 0.37
MERTK Q12866 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
SCHEMBL30005563 0.93 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005042 0.89 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005509 0.89 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005610 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1ATM
SCHEMBL30005586 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005804 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPSR1ATM
SCHEMBL30006406 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005575 0.86 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005532 0.86 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005545 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1NAMPT

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed