SCHEMBL29501650

SCHEMBL29501650

CCOC(=O)c1cc(CC#N)cnc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.49
HSD17B10 Q99714 5/20 0.49
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 8/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NMT1 P30419 1/20 0.41
GLA P06280 2/20 0.41
ALOX15 P16050 2/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL25255731 1.00 KDM4E (0.49) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL9370802 0.85 KDM4E (0.50) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL16166523 0.79 KDM4E (0.55) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL28166126 0.79 KDM4E (0.46) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL3876573 0.77 ALDH1A1 (0.53) KDM4EL3MBTL1ALDH1A1MAPTNMT1
SCHEMBL612735 0.77 KDM4E (0.51) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL3588853 0.75 POLB (0.49) KDM4EL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL277286 0.75 CYP2C9 (0.54) KDM4EHSD17B10ALDH1A1MAPTTSHR
SCHEMBL12458000 0.75 CA12 (0.56) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL5164025 0.74 TDP1 (0.47) KDM4EHSD17B10GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208464-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2023-07-12 EP disclosed
CN-116075226-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达农作物保护股份公司 2023-05-05 CN disclosed
WO-2022049144-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-10 WO disclosed