SCHEMBL22018576

SCHEMBL22018576

CCn1c(SCC(N)=O)nnc1-c1ccoc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 2/20 0.60
HSD17B10 Q99714 3/20 0.56
GAA P10253 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
POLB P06746 1/20 0.51
ADRB2 P07550 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL22019621 0.83 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL22018988 0.83 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL11887664 0.82 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL13831215 0.80 LMNA (0.62) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL22018553 0.80 USP2 (0.79) SMN1; SMN2ALDH1A1HSD17B10USP2TP53
SCHEMBL22018532 0.80 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL22019629 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL22019635 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL22018989 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL22019627 0.78 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA

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