SCHEMBL30006039

SCHEMBL30006039

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL30006048 0.98 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006211 0.93 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005648 0.92 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006155 0.91 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006570 0.90 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30005764 0.89 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30004993 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005788 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30005320 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005610 0.86 ALDH1A1 (0.51) 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