SCHEMBL30005697

SCHEMBL30005697

CN(C)C=NS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cc(Cl)cc(Cl)c4)CC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
THRB P10828 1/20 0.48
MEN1 O00255 3/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL30005899 0.83 GAA (0.59) LMNAGAAMAPK1ALDH1A1TDP1
SCHEMBL30005557 0.81 ALDH1A1 (0.58) LMNAGAAMAPK1ALDH1A1TDP1
SCHEMBL30005725 0.73 KMT2A (0.48) LMNAGAAMAPK1ALDH1A1TDP1
SCHEMBL30005465 0.73 ALDH1A1 (0.73) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL31252083 0.72 TRPV4 (0.58) LMNAALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL15076668 0.70 SMN1; SMN2 (0.80) LMNAGAAMAPK1ALDH1A1TDP1
SCHEMBL30005289 0.70 ALDH1A1 (0.57) GAAALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL30004669 0.69 ALDH1A1 (0.56) GAAALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL30004910 0.69 ALDH1A1 (0.56) GAAALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL30004774 0.69 ALDH1A1 (0.58) LMNAGAAALDH1A1KMT2ASMN1; 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