SCHEMBL30004749

SCHEMBL30004749

CN(c1ccc(I)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 6/20 0.47
RAB9A P51151 3/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 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
SCHEMBL30005465 0.89 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005289 0.89 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30004993 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30004910 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30004669 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005810 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006155 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005902 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30004774 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006437 0.84 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1MAPT

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