SCHEMBL6820718

SCHEMBL6820718

CC(=O)[N]CC1=C(c2ccc(C(C)(C)C)cc2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
SLC6A2 P23975 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MITF O75030 1/20 0.30

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
SCHEMBL5964212 0.80 KMT2A (0.36) KMT2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5963390 0.78 TSHR (0.34) KMT2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL6820217 0.76 AKR1B1 (0.33) LMNAKDM4EALDH1A1HSD11B1
SCHEMBL5001155 0.68 PTGS2 (0.37) HTT
SCHEMBL5966734 0.68 KDM4E (0.35) KMT2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5963305 0.67 SLC6A3 (0.39) LMNAALDH1A1SLC6A2
SCHEMBL5004773 0.65 ALDH1A1 (0.36) KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5963749 0.64 FPR2 (0.34) LMNASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL6820982 0.62 KDM4E (0.36) LMNAKDM4EALDH1A1SLC6A2HSD11B1
SCHEMBL5964310 0.62 ALDH1A1 (0.37) KMT2ASMN1; SMN2ALDH1A1SLC6A2MEN1

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-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed