SCHEMBL27841014

SCHEMBL27841014

O=C1SCCN1c1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
HTR3A P46098 2/20 0.50
TP53 P04637 2/20 0.49
AURKA O14965 1/20 0.48
TRPC3 Q13507 1/20 0.47
ALKBH3 Q96Q83 3/20 0.45
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
PLAUR Q03405 1/20 0.44
NPC1 O15118 2/20 0.44
PAX8 Q06710 2/20 0.44
NPY5R Q15761 2/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALPL P05186 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
SCHEMBL7017150 0.77 HTR3A (0.58) BCHEACHEHTR3ATP53AURKA
SCHEMBL27547390 0.75 BCHE (0.56) BCHEACHEHTR3ATP53AURKA
SCHEMBL9407612 0.73 TP53 (0.56) BCHEACHEHTR3ATP53AURKA
SCHEMBL17764208 0.73 AURKA (0.50) BCHEACHEHTR3ATP53AURKA
SCHEMBL6597824 0.72 AOC3 (0.40) KDM4ERAB9AMAPTHRH4NPC1
SCHEMBL21047636 0.71 BCHE (0.69) BCHEACHEHTR3ATP53AURKA
SCHEMBL20472708 0.70 BCHE (0.54) BCHEACHEHTR3ATP53AURKA
SCHEMBL2674037 0.69 BCHE (0.90) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2676103 0.69 BCHE (0.96) BCHEACHEHTR3ATP53TRPC3
SCHEMBL21047796 0.69 BCHE (0.60) BCHEACHEHTR3ATP53AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102250082-A Benzimidazolyl thiazolidinone compounds and synthesis method thereof FOURTH MILITARY MEDICAL UNIV 2011-11-23 CN disclosed
CN-102250082-A Benzimidazolyl thiazolidinone compounds and synthesis method thereof FOURTH MILITARY MEDICAL UNIV 2011-11-23 CN disclosed