SCHEMBL10474147

SCHEMBL10474147

Cn1c(-c2ccc(F)cc2Cl)nn(-c2ccccc2C(F)(F)F)c1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.61
P2RX7 Q99572 2/20 0.43
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL10473903 0.86 HSD11B1 (0.49) HSD11B1P2RX7GAAATMMAPK13
SCHEMBL10592226 0.79 HSD11B1 (0.54) HSD11B1P2RX7GAAATMMAPK13
SCHEMBL10474202 0.77 HSD11B1 (0.43) HSD11B1GAAATMMAPK14
SCHEMBL2746936 0.76 HSD11B1 (1.00) HSD11B1
SCHEMBL10594058 0.75 HSD11B1 (0.49) HSD11B1P2RX7MAPK13MAPK12MAPK11
SCHEMBL10595099 0.75 HSD11B1 (0.49) HSD11B1P2RX7MAPK13MAPK12MAPK11
SCHEMBL10473973 0.73 HSD11B1 (0.46) HSD11B1P2RX7MAPK13MAPK12MAPK11
SCHEMBL9829408 0.70 HSD11B1 (0.67) HSD11B1
SCHEMBL10593189 0.68 HSD11B1 (0.41) HSD11B1P2RX7LMNA
SCHEMBL10473910 0.68 MGLL (0.40) HSD11B1P2RX7MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4943583-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1990-07-24 US disclosed
EP-0270061-A2 Five-membered heterocycles with three heteroatoms, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1988-06-08 EP disclosed