SCHEMBL9256497

SCHEMBL9256497

NN(C=S)Cn1nc(N2CCOCC2)nc1NCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.48
HTT P42858 3/20 0.42
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE5A O76074 1/20 0.36
GBA1 P04062 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CTSL P07711 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 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
SCHEMBL9473324 0.74 CYP11B2 (0.53) CYP11B2HTTLMNAALDH1A1GAA
SCHEMBL9251387 0.74 GAA (0.37) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL9250057 0.73 HTT (0.53) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL9253628 0.72 HTT (0.50) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL9281018 0.72 CYP11B2 (0.50) CYP11B2HTTLMNAALDH1A1GAA
SCHEMBL27330067 0.72 CYP11B2 (0.46) CYP11B2HTTLMNAALDH1A1GAA
SCHEMBL27330065 0.70 CYP11B2 (0.46) CYP11B2HTTLMNAALDH1A1GAA
SCHEMBL18502906 0.66 CYP11B2 (1.00) CYP11B2HTTLMNAALDH1A1GAA
SCHEMBL9253837 0.65 CYP1A2 (0.35) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL8133848 0.64 CYP11B2 (0.53) CYP11B2HTTALDH1A1SMN1; SMN2PDE4A

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-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
US-5135928-A Treating angina, gastrointesinal disorders; antiinflammatory agents; antiulcer, analgesics; sedatives EGIS GYOGYSZERGYAR (HU) 1992-08-04 US disclosed
EP-0425282-A2 Triazolo derivatives and process for their preparation EGIS GYOGYSZERGYAR (HU) 1991-05-02 EP disclosed