SCHEMBL9250855

SCHEMBL9250855

[NH]C(=S)C(CO)n1nc(N2CCOCC2)nc1N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 3/20 0.35
PIK3CA P42336 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MTOR P42345 4/20 0.34
PIK3R1 P27986 4/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
MET P08581 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
CREBBP Q92793 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9168729 0.91 POLB (0.35) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL9255695 0.85 ALDH1A1 (0.36) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL9254724 0.77 PIK3CA (0.35) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL9248319 0.76 MEN1 (0.46) KDM4EHTTPIK3CAALDH1A1MTOR
SCHEMBL9250851 0.75 POLB (0.34) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL9159849 0.71 ALDH1A1 (0.33) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL9258593 0.68 GAA (0.41) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL9158552 0.67 GAA (0.37) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL9165673 0.67 POLB (0.39) GAAKDM4EHTTPIK3CAALDH1A1
SCHEMBL7896518 0.66 POLB (0.42) GAAKDM4EHTTPIK3CAALDH1A1

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-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-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