SCHEMBL30005537

SCHEMBL30005537

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
PTGDR Q13258 2/20 0.43
PTPN11 Q06124 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
PSMD14 O00487 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL30004993 0.90 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005470 0.90 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006155 0.90 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30004817 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005289 0.86 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006479 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006211 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005788 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30004749 0.85 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005465 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1MAPT

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