SCHEMBL22654076

SCHEMBL22654076

Cc1nn(C)c(=O)c(-c2c(F)ccc(Cl)c2C#Cc2ccccc2)c1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 14/20 0.35
LMNA P02545 1/20 0.33
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 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
SCHEMBL22654073 0.83 GRM4 (0.38) GRM4LMNACDK8ACVR1
SCHEMBL22654078 0.80 GAA (0.34) GRM4LMNACDK8ACVR1TRPV3
SCHEMBL28444233 0.78 GRM4 (0.36) GRM4CDK8ACVR1
SCHEMBL30389348 0.75 NR3C1 (0.34) GRM4TRPV3MAPT
SCHEMBL25180896 0.75 NR3C1 (0.34) GRM4TRPV3MAPT
SCHEMBL30388670 0.72 CYP1A2 (0.33) TRPV3
SCHEMBL25180330 0.72 CYP1A2 (0.33) TRPV3
SCHEMBL29263842 0.72 GRM4 (0.33) GRM4
SCHEMBL29263850 0.65 LMNA (0.35) LMNACDK8ACVR1KMT2AMAPT
SCHEMBL22031792 0.65 CASR (0.40) LMNACDK8ACVR1KMT2AMAPT

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
EP-3737667-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-11-18 EP disclosed