SCHEMBL22018575

SCHEMBL22018575

CC(C)(C)OC(=O)n1c(SCC(N)=O)nnc1-c1ccoc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIRT5 Q9NXA8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL13831005 0.83 TP53 (0.54) POLBTSHRUSP2SMN1; SMN2LMNA
SCHEMBL22018974 0.83 TSHR (0.40) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL22019357 0.81 SMN1; SMN2 (0.38) POLBALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL13830836 0.80 HSD17B10 (0.40) ALDH1A1TSHRUSP2SMN1; SMN2LMNA
SCHEMBL15983383 0.80 PKM (0.50) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13832119 0.78 MAPT (0.42) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22018576 0.76 SMN1; SMN2 (0.64) POLBALDH1A1USP2SMN1; SMN2LMNA
SCHEMBL13831007 0.74 ALDH1A1 (0.34) ALDH1A1GAAKMT2AL3MBTL1TP53
SCHEMBL13831028 0.74 TP53 (0.38) TSHRSMN1; SMN2LMNAGAAMEN1
SCHEMBL13830951 0.74 TP53 (0.38) TSHRSMN1; SMN2LMNAGAAMEN1

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