SCHEMBL11020212

SCHEMBL11020212

CC(C)OC(=O)c1cc(NN)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
APEX1 P27695 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
WDR5 P61964 1/20 0.36
MEN1 O00255 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
SCHEMBL10647200 0.86 MAPT (0.46) LMNAMAPTHPGDSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL1787107 0.84 GAA (0.46) LMNAMAPTHPGDSMN1; SMN2GAA
SCHEMBL9247954 0.83 HPGD (0.56) LMNAMAPTHPGDSMN1; SMN2GAA
SCHEMBL8930238 0.81 LMNA (0.44) LMNAMAPTHPGDSMN1; SMN2GAA
SCHEMBL6740081 0.81 LMNA (0.45) LMNAMAPTHPGDSMN1; SMN2GAA
SCHEMBL4681898 0.80 MAPT (0.51) LMNAMAPTHPGDSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL3657255 0.80 GAA (0.43) LMNAMAPTHPGDSMN1; SMN2GAA
SCHEMBL13479860 0.79 MAPT (0.46) LMNAMAPTHPGDSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4684781 0.79 MAPT (0.50) LMNAMAPTHPGDSMN1; SMN2GAA
SCHEMBL9248009 0.79 LMNA (0.48) LMNAMAPTHPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138527-A2 Herbicidal pyrazole derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-04-24 EP disclosed