SCHEMBL30004891

SCHEMBL30004891

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1)S(C)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.74
ALDH1A1 P00352 4/20 0.69
L3MBTL1 Q9Y468 3/20 0.68
KMT2A Q03164 4/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MEN1 O00255 1/20 0.68
POLB P06746 1/20 0.66
MAPT P10636 2/20 0.60
ALOX15 P16050 1/20 0.60
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL30005753 0.86 TSHR (0.82) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL16127830 0.81 TSHR (0.73) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL30005938 0.80 ALDH1A1 (0.84) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL30005360 0.79 ALDH1A1 (0.82) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL30005796 0.79 ALDH1A1 (0.84) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL31518510 0.78 TSHR (0.55) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL31518537 0.78 ALDH1A1 (0.79) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL30005204 0.78 ALDH1A1 (0.82) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL30006835 0.78 ALDH1A1 (0.79) TSHRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL30005912 0.78 ALDH1A1 (0.79) TSHRALDH1A1L3MBTL1KMT2ANPSR1

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