SCHEMBL29657402

SCHEMBL29657402

CCSc1cc(CC#N)cnc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL20104460 1.00 L3MBTL1 (0.36) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL31194346 0.82 EGLN1 (0.38) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL22190421 0.78 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL20104512 0.78 L3MBTL1 (0.35) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL29657413 0.78 L3MBTL1 (0.35) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL17514084 0.77 PKM (0.36) ALDH1A1MAPTKDM4EHSD17B10CYP1A2
SCHEMBL29904942 0.77 PKM (0.36) ALDH1A1MAPTKDM4EHSD17B10CYP1A2
SCHEMBL17422583 0.77 MAPT (0.41) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL17824481 0.77 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL30614499 0.77 MAPT (0.41) L3MBTL1ALDH1A1MAPTKDM4EHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431377-A Pesticidally active heterocyclic derivatives with sulfoximine containing substituents 先正达农作物保护股份公司 2025-02-14 CN disclosed
CN-114456164-B Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2024-03-12 CN disclosed
CN-116804010-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-09-26 CN disclosed
CN-110312707-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-06-23 CN disclosed
CN-109890818-B Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2022-11-25 CN disclosed
CN-114456164-A Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2022-05-10 CN disclosed