SCHEMBL30006506

SCHEMBL30006506

Cc1nc(Cl)cc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
TGM3 Q08188 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
SCHEMBL30005964 0.88 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005729 0.87 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30004982 0.86 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005712 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006011 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005465 0.83 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30004775 0.82 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005032 0.82 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005653 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005912 0.81 ALDH1A1 (0.79) 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