SCHEMBL9165673

SCHEMBL9165673

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 4/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.33
PIK3CA P42336 2/20 0.32
PIK3R1 P27986 1/20 0.32
MTOR P42345 1/20 0.32
PTPN11 Q06124 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9158552 0.87 GAA (0.37) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9254714 0.85 PIK3CA (0.34) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9250851 0.80 POLB (0.34) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9159849 0.78 ALDH1A1 (0.33) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9255692 0.77 TSHR (0.33) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9248313 0.69 MEN1 (0.48) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9250855 0.67 GAA (0.35) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9254724 0.67 PIK3CA (0.35) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9255695 0.66 ALDH1A1 (0.36) POLBALDH1A1HTTLMNAHPGD
SCHEMBL9168729 0.66 POLB (0.35) POLBALDH1A1HTTLMNAHPGD

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