SCHEMBL30005953

SCHEMBL30005953

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)c1ccccc1-n1ccnn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PSMD14 O00487 1/20 0.47
THRB P10828 1/20 0.47
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
GRM4 Q14833 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
SCHEMBL30005561 0.89 TDP1 (0.49) TDP1MAPTMEN1KMT2APSMD14
SCHEMBL30005802 0.89 NPC1 (0.55) TDP1MAPTMEN1KMT2APSMD14
SCHEMBL30005455 0.86 TDP1 (0.52) TDP1MAPTMEN1KMT2APSMD14
SCHEMBL30005465 0.77 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30006561 0.77 MEN1 (0.52) MAPTMEN1KMT2APSMD14THRB
SCHEMBL30005757 0.76 MEN1 (0.51) MAPTMEN1KMT2APSMD14THRB
SCHEMBL30005833 0.76 MAPT (0.55) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30005703 0.76 MAPT (0.47) TDP1MAPTMEN1KMT2APSMD14
SCHEMBL30006437 0.74 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6429865 0.73 NPC1 (0.55) TDP1MAPTMEN1KMT2AALDH1A1

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