SCHEMBL9158552

SCHEMBL9158552

CCC(O)C(NC=S)n1nc(N2CCOCC2)nc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
POLB P06746 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3R1 P27986 1/20 0.32
MTOR P42345 1/20 0.32
CTSK P43235 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9165673 0.87 POLB (0.39) GAAPOLBKDM4EALDH1A1HTT
SCHEMBL9254714 0.82 PIK3CA (0.34) GAAPOLBALDH1A1HTTLMNA
SCHEMBL9250851 0.79 POLB (0.34) GAAPOLBKDM4EALDH1A1HTT
SCHEMBL9159849 0.77 ALDH1A1 (0.33) GAAPOLBKDM4EALDH1A1HTT
SCHEMBL9255692 0.76 TSHR (0.33) GAAPOLBKDM4EALDH1A1HTT
SCHEMBL9248313 0.68 MEN1 (0.48) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL9347927 0.68 HRH4 (0.35) KMT2A
SCHEMBL9250855 0.67 GAA (0.35) GAAPOLBKDM4EALDH1A1HTT
SCHEMBL9168729 0.66 POLB (0.35) GAAPOLBKDM4EALDH1A1HTT
SCHEMBL9255695 0.66 ALDH1A1 (0.36) GAAPOLBKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434982-B1 5-(Amino)-triazolylcarbothioamide derivatives, process for their preparation and medicines containing them, as well as use of the former EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1995-03-15 EP disclosed
US-5276030-A Tranquilizers, antispasmodics, antidepressants EGIS GYOGYSZERGYAT (HU) 1994-01-04 US disclosed
US-5175163-A Tranquilizer, antidepresant, antispasmodic, analgesic and antiinflammatory agent EGIS GYOGYSZERGYAR (HU) 1992-12-29 US disclosed
EP-0434982-A2 5-(Amino)-triazolylcarbothioamide derivatives, process for their preparation and medicines containing them, as well as use of the former EGIS GYOGYSZERGYAR (HU) 1991-07-03 EP disclosed