SCHEMBL30004926

SCHEMBL30004926

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccnc3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.54
NAMPT P43490 1/20 0.54
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL30006458 0.90 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005912 0.90 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005653 0.88 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005339 0.85 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005528 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006011 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005032 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006492 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005959 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005465 0.84 ALDH1A1 (0.73) 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