SCHEMBL30005394

SCHEMBL30005394

COC(=O)C(C)(C)c1cccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL30005010 0.92 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006667 0.91 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005706 0.89 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005717 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006492 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005032 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005528 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005912 0.85 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005630 0.83 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005456 0.83 ALDH1A1 (0.67) 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