SCHEMBL29628982

SCHEMBL29628982

CNC(=O)c1ccc(N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.49
BTK Q06187 4/20 0.46
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 2/20 0.38
AAK1 Q2M2I8 2/20 0.38
GRM5 P41594 3/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CHEK1 O14757 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
MAP2K2 P36507 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
SCHEMBL18688119 0.86 ALOX15 (0.54) ALOX15BTKKMT2AMAOBNFKB1
SCHEMBL29517779 0.85 ALOX15 (0.55) ALOX15GRM5PIM1CHEK1NTRK1
SCHEMBL29628904 0.84 HCAR3 (0.54) BTKKMT2A
SCHEMBL25598798 0.84 AAK1 (0.53) ALOX15BTKKMT2AL3MBTL1AAK1
SCHEMBL29883452 0.82 ALOX15 (0.51) ALOX15L3MBTL1FAAHGRM5
SCHEMBL30808765 0.82 BTK (0.52) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL1015186 0.81 KDM1A (0.43) ALOX15BTKKMT2AL3MBTL1AAK1
SCHEMBL1015183 0.81 KDM1A (0.43) ALOX15BTKKMT2AL3MBTL1AAK1
SCHEMBL1015184 0.81 KDM1A (0.43) ALOX15BTKKMT2AL3MBTL1AAK1
SCHEMBL23591998 0.79 ALOX15 (0.74) ALOX15PIM1NFKB1NFKB2RELA

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-3997080-A1 BCAT MODULATION Icagen, LLC (US) 2022-05-18 EP disclosed