SCHEMBL30005079

SCHEMBL30005079

COc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 3/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL30005712 0.93 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL30005540 0.88 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL30005710 0.86 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL30006011 0.86 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL30004982 0.83 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL31518467 0.83 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL30005729 0.82 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL30005964 0.82 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL30005912 0.80 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL31518504 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1L3MBTL1

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