SCHEMBL7693299

SCHEMBL7693299

CCC(CC)C1NC(=S)NC(C)=C1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 3/20 0.60
ALOX12 P18054 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HSP90AA1 P07900 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
DHFR P00374 3/20 0.54
ADORA2B P29275 2/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
ADORA3 P0DMS8 3/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL5766699 0.81 SMN1; SMN2 (0.65) SMN1; SMN2TP53ALOX12ALDH1A1HSP90AA1
SCHEMBL14164070 0.80 DHFR (0.79) SMN1; SMN2TP53ALOX12ALDH1A1HSP90AA1
SCHEMBL7691835 0.79 ALDH1A1 (0.54) ALOX12ALDH1A1MAPTDHFRADORA2B
SCHEMBL5766636 0.79 SMN1; SMN2 (0.62) SMN1; SMN2TP53ALOX12ALDH1A1HSP90AA1
SCHEMBL7690924 0.79 ALDH1A1 (0.62) SMN1; SMN2TP53ALOX12ALDH1A1HSP90AA1
SCHEMBL5764501 0.78 ALDH1A1 (0.61) SMN1; SMN2TP53ALOX12ALDH1A1HSP90AA1
SCHEMBL5765952 0.78 ALOX12 (0.61) SMN1; SMN2TP53ALOX12ALDH1A1HSP90AA1
SCHEMBL7695564 0.78 ALDH1A1 (0.70) SMN1; SMN2ALOX12ALDH1A1MAPTHTT
SCHEMBL7696536 0.77 LMNA (0.52) SMN1; SMN2ALOX12ALDH1A1DHFRADORA2B
SCHEMBL7693905 0.76 ALDH1A1 (0.59) SMN1; SMN2TP53ALOX12ALDH1A1HSP90AA1

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-2002066443-A2 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO claimed