SCHEMBL30005025

SCHEMBL30005025

COC(=O)c1cc(C=O)ccc1N(C)S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
L3MBTL1 Q9Y468 5/20 0.46
ALDH1A1 P00352 4/20 0.44
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL4211530 0.84 ALDH1A1 (0.50) KMT2AALDH1A1PTGS2SMN1; SMN2HPGD
SCHEMBL16569907 0.81 KMT2A (0.66) KMT2AL3MBTL1ALDH1A1CYP2C9POLB
SCHEMBL20683121 0.80 KMT2A (0.64) KMT2AL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL6283810 0.80 KMT2A (0.64) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7683509 0.80 KMT2A (0.64) KMT2AL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL30005500 0.77 KMT2A (0.59) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30005525 0.77 KMT2A (0.59) KMT2AL3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL26120761 0.77 ALDH1A1 (0.49) KMT2AALDH1A1PTGS2SMN1; SMN2HPGD
SCHEMBL647372 0.76 KMT2A (1.00) KMT2AL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL4851187 0.75 ALDH1A1 (0.48) L3MBTL1ALDH1A1PTGS2SMN1; SMN2HPGD

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