SCHEMBL328415

SCHEMBL328415

CN(CCN(CC(N)=O)S(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)c(F)c1)C(=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
MMP3 P08254 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
KEAP1 Q14145 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
SCHEMBL328417 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6850926 0.90 POLB (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6864106 0.82 MMP3 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL10067175 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL328403 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL328406 0.81 MMP3 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6850859 0.81 SCN9A (0.38) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6865718 0.72 MMP3 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL328410 0.72 MEP1B (0.42) MMP3SCN9A
SCHEMBL6852266 0.71 HRH3 (0.36) KMT2AL3MBTL1

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
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed