SCHEMBL11278353

SCHEMBL11278353

CN1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.53
AR P10275 1/20 0.52
PIK3CA P42336 6/20 0.48
MTOR P42345 6/20 0.48
CYP1A2 P05177 1/20 0.48
ELANE P08246 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL23037141 0.82 ELANE (0.55) ELANECYP3A4CYP2C9
SCHEMBL10426399 0.81 L3MBTL1 (0.54) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL29702930 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1ARCYP1A2
SCHEMBL28744553 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1ARCYP1A2
SCHEMBL15837517 0.81 MEN1 (0.62) MEN1KMT2AALDH1A1ARCYP1A2
SCHEMBL11729992 0.80 PIK3CA (0.50) MEN1KMT2AALDH1A1ARPIK3CA
SCHEMBL10508406 0.80 KMT2A (0.55) MEN1KMT2AALDH1A1TSHR
SCHEMBL11286432 0.80 L3MBTL1 (0.62) MEN1KMT2AALDH1A1
SCHEMBL11281751 0.79 DRD2 (0.52) MEN1KMT2AALDH1A1ARCYP1A2
SCHEMBL134538 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1ARCYP1A2

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
US-4345936-A Imidazoles, compositions and herbicidal method ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed