SCHEMBL30005031

SCHEMBL30005031

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(OCCNC(=O)OC(C)(C)C)c3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.46
PTGDR Q13258 1/20 0.44
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MERTK Q12866 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL30005835 0.92 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005548 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30004863 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30006667 0.81 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005010 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005032 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30006492 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005528 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005912 0.80 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005456 0.80 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ANPSR1SMN1; 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