SCHEMBL8180754

SCHEMBL8180754

O=C(O)/C=C/c1cnc(NCC(=O)NC2CCCCC2)c(I)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
PRMT3 O60678 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
RARB P10826 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL8181631 0.89 CYP1A2 (0.45) LMNAATMPRMT3NPC1SMN1; SMN2
SCHEMBL13428568 0.87 HPGD (0.40) LMNAATMPRMT3HTTNPC1
SCHEMBL8179191 0.81 RAB9A (0.34) NPC1SMN1; SMN2RARBALDH1A1KMT2A
SCHEMBL8185542 0.80 EPHX2 (0.40) LMNAPRMT3NPC1EPHX2ALDH1A1
SCHEMBL13429153 0.77 CYP1A2 (0.45) LMNANPC1SMN1; SMN2CYP1A2KMT2A
SCHEMBL13428482 0.73 LMNA (0.45) LMNAPRMT3NPC1SMN1; SMN2EPHX2
SCHEMBL4215301 0.71 RAB9A (0.40) RARBALDH1A1KMT2A
SCHEMBL4215307 0.71 RAB9A (0.40) RARBALDH1A1KMT2A
SCHEMBL13428499 0.69 P2RX3 (0.35) LMNANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL8179189 0.69 RAB9A (0.39) HTTNPC1SMN1; SMN2ALDH1A1

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-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed