SCHEMBL30004724

SCHEMBL30004724

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 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 SCHEMBL30005926 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005372 0.87 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006013 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006443 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005323 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005654 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005902 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006521 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006078 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006565 0.79 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2

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