SCHEMBL22019357

SCHEMBL22019357

CC(C)(C)OC(=O)n1c(SCC(N)=O)nnc1-c1ccnc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 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
SCHEMBL13831826 0.85 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1TP53LMNAHTT
SCHEMBL22019359 0.81 SMN1; SMN2 (0.58) SMN1; SMN2TP53LMNAGAAALDH1A1
SCHEMBL22018575 0.81 POLB (0.46) SMN1; SMN2L3MBTL1TP53LMNAGAA
SCHEMBL22018974 0.79 TSHR (0.40) SMN1; SMN2L3MBTL1TP53LMNAGAA
SCHEMBL15983248 0.73 TP53 (0.52) SMN1; SMN2L3MBTL1TP53LMNAMEN1
SCHEMBL13831750 0.72 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1TP53LMNAHTT
SCHEMBL20812798 0.71 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1TP53LMNAMEN1
SCHEMBL13832103 0.70 TP53 (0.52) SMN1; SMN2L3MBTL1TP53LMNAALDH1A1
SCHEMBL22019615 0.69 SMN1; SMN2 (0.55) SMN1; SMN2TP53LMNAGAAALDH1A1
SCHEMBL13832234 0.69 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1TP53LMNAHTT

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed