SCHEMBL30005757

SCHEMBL30005757

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)c1cc(Cl)nnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
PSMD14 O00487 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 2/20 0.47
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
GFER P55789 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 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
SCHEMBL30006561 0.80 MEN1 (0.52) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005833 0.79 MAPT (0.55) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005455 0.79 TDP1 (0.52) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005465 0.77 ALDH1A1 (0.73) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005698 0.76 MEN1 (0.48) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005953 0.76 TDP1 (0.49) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005561 0.76 TDP1 (0.49) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005802 0.76 NPC1 (0.55) MEN1KMT2AMAPTALDH1A1PSMD14
SCHEMBL30004774 0.76 ALDH1A1 (0.58) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005899 0.75 GAA (0.59) MEN1KMT2AMAPTALDH1A1KDM4E

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