SCHEMBL9385271

SCHEMBL9385271

N#CCNC(=O)c1cccc2nnsc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 1/20 0.37
BTK Q06187 1/20 0.37
CTSB P07858 1/20 0.36
THRB P10828 1/20 0.36
CTSK P43235 3/20 0.35
MALT1 Q9UDY8 2/20 0.35
CTSL P07711 2/20 0.34
NSD2 O96028 1/20 0.34
ESR1 P03372 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL4031502 0.80 GAA (0.44) ALDH1A1MAPTTP53SMN1; SMN2THRB
SCHEMBL6971403 0.80 THRB (0.51) ALDH1A1MAPTTP53SMN1; SMN2THRB
SCHEMBL9085814 0.78 MAPT (0.35) ALDH1A1MAPTTP53SMN1; SMN2THRB
SCHEMBL9381252 0.78 MAPT (0.34) ALDH1A1MAPTTP53SMN1; SMN2CTSB
SCHEMBL6971401 0.77 MAPT (0.39) ALDH1A1MAPTTP53SMN1; SMN2THRB
SCHEMBL9381034 0.76 THRB (0.35) ALDH1A1MAPTTP53SMN1; SMN2THRB
SCHEMBL9379860 0.76 MAPT (0.35) ALDH1A1MAPTTP53SMN1; SMN2THRB
SCHEMBL9383753 0.76 MAPT (0.35) ALDH1A1MAPTTP53SMN1; SMN2THRB
SCHEMBL9380695 0.75 MAPT (0.32) MAPTSMN1; SMN2MALT1KMT2A
SCHEMBL8051642 0.75 MAPT (0.45) ALDH1A1MAPTTP53SMN1; SMN2THRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387195-B1 Agents for the protection of plants against diseases CIBA GEIGY AG (CH) 1994-07-27 EP claimed
EP-0387195-B1 Agents for the protection of plants against diseases CIBA GEIGY AG (CH) 1994-07-27 EP disclosed
US-5066661-A Microbiocidal n-(cyanomethyl)-1,2,3-thiadiazole-7-carboxamides CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed
US-5066661-A Microbiocidal n-(cyanomethyl)-1,2,3-thiadiazole-7-carboxamides CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed
EP-0387195-A1 Agents for the protection of plants against diseases CIBA-GEIGY AG (CH) 1990-09-12 EP disclosed