SCHEMBL14096972

SCHEMBL14096972

O=NC(=O)C1(NC(=O)c2cnccn2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.49
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
GRM5 P41594 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL464163 0.85 PABPC1 (0.52) PABPC1MAPTLMNASMN1; SMN2HTT
SCHEMBL1842772 0.81 PABPC1 (0.49) PABPC1MAPTLMNASMN1; SMN2GAA
SCHEMBL3742351 0.77 PABPC1 (0.56) PABPC1MAPTLMNASMN1; SMN2HTT
SCHEMBL14302378 0.73 PSMB11 (0.42) PABPC1MAPTLMNASMN1; SMN2GAA
SCHEMBL14307779 0.73 LONP1 (0.42) PABPC1MAPTLMNASMN1; SMN2GAA
SCHEMBL464169 0.73 LONP1 (0.42) PABPC1MAPTLMNASMN1; SMN2GAA
SCHEMBL464314 0.71 LONP1 (0.41) PABPC1MAPTLMNASMN1; SMN2GAA
SCHEMBL14011262 0.69 PABPC1 (0.51) PABPC1MAPTLMNASMN1; SMN2GAA
SCHEMBL3748694 0.69 RAB9A (0.51) PABPC1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29132984 0.69 GAA (0.55) PABPC1MAPTSMN1; SMN2GAAHTT

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-1958956-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-08-20 EP disclosed