SCHEMBL29559516

SCHEMBL29559516

O=C1CSC(c2ccccc2N2CCCCC2)N1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.52
KEAP1 Q14145 1/20 0.42
GAA P10253 3/20 0.42
EEF2K O00418 1/20 0.41
MAPK1 P28482 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
ALOX12 P18054 1/20 0.37
MAP2K1 Q02750 1/20 0.37
KCNQ2 O43526 2/20 0.36
GFER P55789 2/20 0.36
NPSR1 Q6W5P4 4/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6827823 0.72 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1GAAMAPTALDH1A1
SCHEMBL27550522 0.69 KEAP1 (0.46) L3MBTL1KEAP1GAAEEF2KMAPK1
SCHEMBL10673115 0.69 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1GAAMAPTALDH1A1
SCHEMBL17926939 0.69 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1GAAMAPTGFER
SCHEMBL10676844 0.69 L3MBTL1 (1.00) SMN1; SMN2L3MBTL1GAAMAPTALDH1A1
SCHEMBL23064465 0.68 KEAP1 (0.52) L3MBTL1KEAP1GAAEEF2KMAPK1
SCHEMBL30442171 0.68 CRBN (0.57) EEF2KALDH1A1TSHR
SCHEMBL23064544 0.66 PDCD1 (0.51) KEAP1GAAEEF2KMAPK1NPC1
SCHEMBL16796853 0.66 L3MBTL1 (0.68) SMN1; SMN2L3MBTL1GAAALDH1A1GFER
SCHEMBL16797013 0.66 L3MBTL1 (0.68) SMN1; SMN2L3MBTL1GAAALDH1A1GFER

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed