SCHEMBL22559958

SCHEMBL22559958

CCN(CC)C(=O)NC(C)I

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
ABCC1 P33527 2/20 0.33
HTR1A P08908 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
GPR88 Q9GZN0 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
SCHEMBL12086356 0.81 PTGES (0.40) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL24942773 0.79 CA12 (0.44) MEN1KMT2AMMP1MMP2MMP3
SCHEMBL13884342 0.77 MMP1 (0.47) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL28309318 0.76 LMNA (0.37) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL2912445 0.74 LMNA (0.33) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL2912447 0.74 LMNA (0.33) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL2912443 0.74 LMNA (0.33) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL6830450 0.73 CA12 (0.36) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL6831603 0.71 DPP4 (0.34) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL11525959 0.71 ALDH1A1 (0.33) LMNAMEN1KMT2AMMP1MMP2

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
US-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed