SCHEMBL9253628

SCHEMBL9253628

CN(C=S)NCn1nc(N2CCOCC2)nc1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
PKM P14618 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
ACHE P22303 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE5A O76074 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CB P42338 8/20 0.43
TSHR P16473 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PIK3CA P42336 3/20 0.39

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
SCHEMBL9250057 0.83 HTT (0.53) HTTPKMALDH1A1LMNAACHE
SCHEMBL9250295 0.82 HTT (0.52) HTTPKMALDH1A1LMNAACHE
SCHEMBL9175170 0.77 ALDH1A1 (0.38) HTTPKMALDH1A1LMNAGAA
SCHEMBL9256497 0.72 CYP11B2 (0.48) HTTPKMALDH1A1LMNAACHE
SCHEMBL9250447 0.72 HTT (0.57) HTTPKMALDH1A1LMNAACHE
SCHEMBL27337797 0.71 ALDH1A1 (0.49) HTTPKMALDH1A1LMNAACHE
SCHEMBL27337796 0.70 HTT (0.49) HTTPKMALDH1A1LMNAACHE
SCHEMBL9257701 0.66 MAPT (0.43) HTTPKMALDH1A1LMNAACHE
SCHEMBL1658523 0.66 HTT (0.82) HTTPKMALDH1A1LMNAACHE
SCHEMBL13219099 0.64 LMNA (1.00) HTTPKMALDH1A1LMNAACHE

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