SCHEMBL9258593

SCHEMBL9258593

Nc1nc(N2CCOCC2)nn1C(=S)S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 3/20 0.39
PIK3CA P42336 7/20 0.38
MTOR P42345 5/20 0.38
PIK3R1 P27986 5/20 0.38
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MET P08581 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35

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
SCHEMBL7896518 0.82 POLB (0.42) GAAKDM4EHTTALDH1A1PIK3CA
SCHEMBL9660846 0.81 GAA (0.42) GAAKDM4EHTTALDH1A1PIK3CA
SCHEMBL9250447 0.69 HTT (0.57) GAAKDM4EHTTALDH1A1PIK3CA
SCHEMBL9869002 0.69 ALDH1A1 (0.37) GAAKDM4EHTTALDH1A1PIK3CA
SCHEMBL9250855 0.68 GAA (0.35) GAAKDM4EHTTALDH1A1PIK3CA
SCHEMBL9473324 0.68 CYP11B2 (0.53) GAAKDM4EHTTALDH1A1PIK3CA
SCHEMBL9168729 0.67 POLB (0.35) GAAKDM4EHTTALDH1A1PIK3CA
SCHEMBL27309896 0.66 POLB (0.39) GAAKDM4EHTTALDH1A1MAPK1
SCHEMBL7902694 0.66 MAPK1 (0.34) GAAKDM4EHTTALDH1A1MAPK1
SCHEMBL9254724 0.66 PIK3CA (0.35) GAAKDM4EHTTALDH1A1PIK3CA

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-0425283-B1 Novel triazolyl hydrazide derivatives and process for their preparation EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1995-05-10 EP disclosed
US-5225410-A Antiangina, antiulcer agents EGIS GYOGYSZERGYAR (HU) 1993-07-06 US disclosed
EP-0425283-A2 Novel triazolyl hydrazide derivatives and process for their preparation EGIS GYOGYSZERGYAR (HU) 1991-05-02 EP disclosed