SCHEMBL4728318

SCHEMBL4728318

CCC(CO)CCNc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.49
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
MAOA P21397 9/20 0.45
MAOB P27338 9/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
STAT1 P42224 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CFTR P13569 1/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MRE11 P49959 1/20 0.43

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
SCHEMBL2585048 0.83 GAA (0.52) VCPKDM4EGAAMAPTMEN1
SCHEMBL4080083 0.82 VCP (0.59) VCPKDM4EGAAMAPTMEN1
SCHEMBL2579091 0.72 GAA (0.64) VCPKDM4EGAAMAPTMEN1
SCHEMBL3166865 0.72 MAOA (0.54) VCPKDM4EGAAMAPTMEN1
SCHEMBL3175801 0.72 VCP (0.58) VCPKDM4EGAAMAPTMEN1
SCHEMBL24590218 0.72 GAA (0.59) VCPKDM4EGAAMAPTMEN1
SCHEMBL2828957 0.71 MEN1 (0.55) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL6824959 0.71 KDM4E (0.47) VCPKDM4EGAAMAPTMEN1
SCHEMBL2575950 0.71 VCP (0.54) VCPKDM4EGAAMAPTMEN1
SCHEMBL28911474 0.70 VCP (0.62) VCPKDM4EGAAMAPTMEN1

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-2008021309-A1 IMIDAZOLIDIN-2-ONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed