SCHEMBL30005950

SCHEMBL30005950

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 2/20 0.53
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
ALOX15 P16050 1/20 0.47
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL30005882 0.91 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005912 0.90 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005185 0.89 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005339 0.89 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005959 0.88 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006458 0.86 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005734 0.86 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005830 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005810 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL16127830 0.84 TSHR (0.73) 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