SCHEMBL30005737

SCHEMBL30005737

COC(OC)c1ccc(N(C)S(C)(=O)=O)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.36
CYP19A1 P11511 4/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL30005500 0.88 KMT2A (0.59) KMT2AL3MBTL1POLBTSHRALDH1A1
SCHEMBL19084967 0.76 CSNK2A1 (0.49) KMT2AL3MBTL1POLBTSHRALDH1A1
SCHEMBL30005614 0.75 KMT2A (0.45) KMT2AL3MBTL1POLBTSHRCYP19A1
SCHEMBL7689156 0.75 C5AR1 (0.49) KMT2ATSHRALDH1A1USP2MAPT
SCHEMBL28271886 0.71 ALDH1A1 (0.45) KMT2APOLBALDH1A1USP2MAPT
SCHEMBL30005767 0.71 KMT2A (0.48) KMT2AL3MBTL1POLBALDH1A1AKR1C2
SCHEMBL222373 0.71 KMT2A (0.68) KMT2AL3MBTL1POLBTSHRALDH1A1
SCHEMBL30005605 0.71 KMT2A (0.68) KMT2AL3MBTL1POLBTSHRALDH1A1
SCHEMBL7683485 0.68 ACLY (0.46) KMT2AL3MBTL1POLBTSHRCYP19A1
SCHEMBL7558061 0.67 CSNK2A1 (0.44) KMT2AL3MBTL1POLBTSHRALDH1A1

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