SCHEMBL30005830

SCHEMBL30005830

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.52
HSD11B1 P28845 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 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
SCHEMBL30005912 0.90 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005339 0.89 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005959 0.88 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30006458 0.86 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005950 0.86 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005465 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30006662 0.84 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30006011 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005528 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30004775 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ANPSR1SMN1; 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