SCHEMBL30004701

SCHEMBL30004701

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.44
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL30005691 0.90 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005646 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005882 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005379 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006706 0.86 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30004869 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005032 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006492 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005528 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005912 0.84 ALDH1A1 (0.79) 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