SCHEMBL30006470

SCHEMBL30006470

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.43
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL30005942 0.91 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005662 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005289 0.89 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1NPSR1RAB9A
Trifluoroacetic Acid SCHEMBL30005909 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005759 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30006771 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30006211 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30004993 0.86 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30004749 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPSR1RAB9A
SCHEMBL30005465 0.84 ALDH1A1 (0.73) 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