SCHEMBL22654078

SCHEMBL22654078

Cc1nn(C)c(=O)c(-c2c(F)ccc(Cl)c2C#Cc2ccccc2)c1OC(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
GRM4 Q14833 8/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
LMNA P02545 2/20 0.31
CDK8 P49336 1/20 0.30
ACVR1 Q04771 1/20 0.30
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL30388670 0.93 CYP1A2 (0.33) TRPV3
SCHEMBL25180330 0.93 CYP1A2 (0.33) TRPV3
SCHEMBL22654073 0.84 GRM4 (0.38) GRM4LMNACDK8ACVR1
SCHEMBL22031793 0.81 MEN1 (0.33) GAATP53MAPTMEN1ALDH1A1
SCHEMBL29457680 0.81 MEN1 (0.33) GAATP53MAPTMEN1ALDH1A1
SCHEMBL22654076 0.80 GRM4 (0.35) MAPTGRM4KMT2ALMNACDK8
SCHEMBL28444233 0.79 GRM4 (0.36) GRM4ALDH1A1CDK8ACVR1
SCHEMBL22654071 0.79 SMN1; SMN2 (0.31) GAATP53MAPTSMN1; SMN2LMNA
SCHEMBL29658208 0.79 SMN1; SMN2 (0.31) GAATP53MAPTSMN1; SMN2LMNA
(Z)-1,2-Diphenylethene SCHEMBL29582372 0.78 TP53 (0.33) GAATP53MAPTMEN1ALDH1A1

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
CN-111566094-B herbicidal compounds 先正达参股股份有限公司 2023-10-13 CN disclosed
EP-3737667-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-11-18 EP disclosed
CN-111566094-A Herbicidal compounds 先正达参股股份有限公司 2020-08-21 CN disclosed