SCHEMBL30006561

SCHEMBL30006561

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)c1ccncc1I

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 3/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 3/20 0.48
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 1/20 0.47
PSMD14 O00487 1/20 0.47
THRB P10828 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL30005508 0.89 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL30005833 0.89 MAPT (0.55) MEN1KMT2ASMN1; SMN2MAPTATM
SCHEMBL30005698 0.86 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MAPTATM
SCHEMBL30004774 0.85 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2MAPTATM
SCHEMBL30005757 0.80 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPTATM
SCHEMBL30005455 0.79 TDP1 (0.52) MEN1KMT2AMAPTATMALDH1A1
SCHEMBL30005703 0.77 MAPT (0.47) MEN1KMT2AMAPTATMKDM4E
SCHEMBL30005953 0.77 TDP1 (0.49) MEN1KMT2AMAPTATMALDH1A1
SCHEMBL30005561 0.77 TDP1 (0.49) MEN1KMT2AMAPTATMALDH1A1
SCHEMBL175270 0.76 NAMPT (0.81) NAMPT

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