SCHEMBL30006443

SCHEMBL30006443

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
ALB P02768 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
PPARG P37231 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
SCHEMBL30005372 0.88 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005810 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30006013 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1RAB9A
Hydrochloric Acid SCHEMBL30005926 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005323 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30004724 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30006078 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30006521 0.79 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30006565 0.79 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005012 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPSR1RAB9A

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