SCHEMBL30005032

SCHEMBL30005032

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
TSHR P16473 2/20 0.64
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
PTPN11 Q06124 2/20 0.51

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
SCHEMBL30005465 0.93 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30005528 0.91 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30006492 0.91 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30005912 0.91 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30006437 0.89 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30004775 0.89 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30005456 0.89 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30006454 0.89 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30005653 0.89 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL30006667 0.89 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1TSHR

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