SCHEMBL22019359

SCHEMBL22019359

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 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
SCHEMBL22019629 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL22019615 0.85 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL22019635 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL13831366 0.83 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4ELMNATSHR
SCHEMBL13832044 0.82 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD
SCHEMBL22018951 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL22019627 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL22019357 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HSD17B10TP53LMNA
SCHEMBL22019621 0.81 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL22018576 0.77 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53

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