SCHEMBL30004863

SCHEMBL30004863

CCOCOc1cccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.50
PTGDR Q13258 1/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ATM Q13315 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
SCHEMBL30005627 0.93 ALDH1A1 (0.64) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30005548 0.88 ALDH1A1 (0.62) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30005449 0.86 ALDH1A1 (0.55) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30005456 0.85 ALDH1A1 (0.67) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30006492 0.84 ALDH1A1 (0.71) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30005528 0.84 ALDH1A1 (0.71) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30005032 0.84 ALDH1A1 (0.71) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30005912 0.84 ALDH1A1 (0.79) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30005882 0.83 ALDH1A1 (0.66) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL30006706 0.83 ALDH1A1 (0.66) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2

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