SCHEMBL22018974

SCHEMBL22018974

CC(C)(C)OC(=O)n1c(SCC(N)=O)nnc1-c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CPB1 P15086 1/20 0.39
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13831875 0.83 TP53 (0.53) TSHRL3MBTL1TP53LMNAGAA
SCHEMBL22018575 0.83 POLB (0.46) TSHRL3MBTL1TP53LMNAGAA
SCHEMBL22018968 0.82 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL13831452 0.81 HSD17B10 (0.39) TSHRL3MBTL1LMNAGAAALDH1A1
SCHEMBL15983348 0.81 ALDH1A1 (0.51) L3MBTL1TP53LMNAALDH1A1SMN1; SMN2
SCHEMBL13831175 0.80 SMN1; SMN2 (0.42) L3MBTL1TP53LMNAGAAALDH1A1
SCHEMBL15983350 0.79 PTGES (0.41) L3MBTL1TP53ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22019357 0.79 SMN1; SMN2 (0.38) TSHRL3MBTL1TP53LMNAGAA
SCHEMBL22018537 0.79 GPR119 (0.32) ALDH1A1SMN1; SMN2HPGD
SCHEMBL22018532 0.78 ALDH1A1 (0.58) TP53LMNAGAACPB1ALDH1A1

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