SCHEMBL30006078

SCHEMBL30006078

CN(c1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)N2CC[N+]([O-])(c3cc(Cl)cc(Cl)c3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 4/20 0.42
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.37
MERTK Q12866 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 2/20 0.37

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
Hydrochloric Acid SCHEMBL30005918 0.96 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005563 0.89 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPSR1NAMPT
Hydrochloric Acid SCHEMBL30005926 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1KDM4E
SCHEMBL30005509 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005042 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005586 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005372 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005983 0.82 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30006013 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1KDM4E
SCHEMBL30006443 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1KDM4E

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