SCHEMBL22018951

SCHEMBL22018951

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 6/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.54
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.50
ALPG P10696 2/20 0.48
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL22019615 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL22019629 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL22019635 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL15983258 0.83 NPSR1 (0.60) SMN1; SMN2ALDH1A1TSHRKDM4EHPGD
SCHEMBL22019627 0.83 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL22019359 0.82 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL13832036 0.81 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL22019621 0.81 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL15986440 0.81 LMNA (0.58) SMN1; SMN2ALDH1A1TP53TSHRKDM4E
SCHEMBL22018576 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1TP53KDM4EHPGD

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