SCHEMBL11017289

SCHEMBL11017289

CC(C)OC(=O)c1cc(NNF)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL24308304 0.84 LMNA (0.49) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL9198195 0.82 LMNA (0.49) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL8929781 0.81 HPGD (0.58) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL6362855 0.80 LMNA (0.50) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL6362857 0.79 LMNA (0.52) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL8930021 0.77 ALDH1A1 (0.47) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL9198085 0.77 SMN1; SMN2 (0.67) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL12900898 0.77 ALDH1A1 (0.53) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL9202940 0.77 RAB9A (0.61) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL9745417 0.76 SMN1; SMN2 (0.55) LMNAALDH1A1POLBMAPTRXFP1

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