SCHEMBL22019615

SCHEMBL22019615

CCn1c(SCC(N)=O)nnc1-c1ccnc(OC(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 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
SCHEMBL22018951 0.88 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL22019359 0.85 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL13832029 0.84 NPSR1 (0.54) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL22019629 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL15986448 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL22019635 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL22019616 0.80 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KDM4ETP53TSHR
SCHEMBL22019627 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL22019621 0.78 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL22018576 0.75 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10

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
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed