SCHEMBL28855321

SCHEMBL28855321

O=c1ccc2ccncc2n1CC(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
PDE5A O76074 1/20 0.34
HDAC8 Q9BY41 3/20 0.33
MAPT P10636 9/20 0.33
NR3C1 P04150 1/20 0.32
CYP19A1 P11511 1/20 0.32
AOC3 Q16853 1/20 0.31

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
SCHEMBL4133896 0.75 CDK4 (0.37) HDAC1HDAC6HDAC5CDK4CCND1
SCHEMBL12065990 0.74 KDM4E (0.47) CDK4CCND1CCND2CCND3
SCHEMBL29830402 0.72 HDAC1 (0.44) HDAC1HDAC6HDAC5CDK4CCND1
SCHEMBL29403992 0.72 FGFR1 (0.38) MAPTNR3C1CYP19A1
SCHEMBL4292183 0.72 MAPT (0.38) MAPTCYP19A1
SCHEMBL4128204 0.71 CDK4 (0.34) HDAC1HDAC6HDAC5CDK4CCND1
SCHEMBL29783013 0.70 METAP2 (0.33)
SCHEMBL8268970 0.68 BRPF1 (0.55) CDK4CCND1CCND2CCND3MAPT
SCHEMBL30833284 0.68 BRPF1 (0.55) CDK4CCND1CCND2CCND3MAPT
SCHEMBL12065987 0.68 KDM4E (0.53)

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-4085058-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2022-11-09 EP disclosed
CN-115023425-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2022-09-06 CN disclosed