SCHEMBL4658933

SCHEMBL4658933

O=C1NCC(=S)N1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.69
GSK3B P49841 4/20 0.69
ELANE P08246 2/20 0.52
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
CTSG P08311 1/20 0.52
CMA1 P23946 1/20 0.52
CTRC Q99895 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3318940 0.81 GSK3A (1.00) GSK3AGSK3BELANEF2PLG
SCHEMBL2085483 0.79 GSK3A (0.69) GSK3AGSK3BELANEF2PLG
SCHEMBL20339296 0.77 KMT2A (0.73) GSK3AGSK3BELANEF2PLG
SCHEMBL29558351 0.76 GSK3A (0.65) GSK3AGSK3BELANEF2PLG
SCHEMBL4791747 0.76 GSK3A (0.65) GSK3AGSK3BELANEF2PLG
SCHEMBL31114554 0.73 POLB (0.60) GSK3AGSK3BELANEF2PLG
SCHEMBL2087485 0.72 GSK3A (0.59) GSK3AGSK3BELANEF2PLG
SCHEMBL2087484 0.72 GSK3A (0.59) GSK3AGSK3BELANEF2PLG
SCHEMBL10559302 0.72 GSK3A (0.70) GSK3AGSK3BELANEF2PLG
Hydantoin SCHEMBL4914979 0.71 GSK3A (0.77) GSK3AGSK3BELANEF2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004628-A2 ACRIDINE DERIVATIVES WITH ANTITUMORAL ACTIVITY Universidade Federal de Pernambuco-Ufpe (BR) 2008-12-24 EP disclosed
WO-2007109871-A2 ACRIDINE DERIVATIVES WITH ANTITUMORAL ACTIVITY UNIVERSIDADE FEDERAL DE PERNAMBUCO - UFPE (BR) 2007-10-04 WO disclosed
WO-2004024058-A2 MOLECULES WITH ANTITUMOR ACTIVITY AND CHEMICAL SYNTHESIS CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ (BR) 2004-03-25 WO disclosed