SCHEMBL30005525

SCHEMBL30005525

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 5/20 0.45
CYP19A1 P11511 1/20 0.44
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36

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
SCHEMBL4307088 0.84 POLB (0.41) KMT2APOLBKDM4EALDH1A1CYP11B1
SCHEMBL23609756 0.81 CYP11B1 (0.39) KMT2APOLBKDM4EALDH1A1CYP11B1
SCHEMBL16569907 0.80 KMT2A (0.66) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL7683509 0.79 KMT2A (0.64) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL6283810 0.79 KMT2A (0.64) KMT2AL3MBTL1CYP19A1POLBTSHR
SCHEMBL20683121 0.79 KMT2A (0.64) KMT2AL3MBTL1CYP19A1POLBTSHR
SCHEMBL30005025 0.77 KMT2A (0.61) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL11520744 0.76 CA12 (0.46) POLBTSHRKDM4EHSD17B10ALDH1A1
SCHEMBL30005500 0.76 KMT2A (0.59) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL647372 0.75 KMT2A (1.00) KMT2AL3MBTL1POLBTSHRHSD17B10

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