SCHEMBL19436799

SCHEMBL19436799

Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)c(C(F)F)n1.Cn1cc(C(N)=O)c(C(F)Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 9/20 0.36
NTRK1 P04629 2/20 0.36
JAK2 O60674 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
WDR5 P61964 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
JAK1 P23458 1/20 0.34

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
SCHEMBL16618018 0.95 CHRM3 (0.43) CHRM3ATMIRAK4NTRK1JAK2
SCHEMBL29391140 0.92 CHRM3 (0.46) CHRM3ATMNTRK1JAK2MEN1
SCHEMBL1134840 0.92 CHRM3 (0.46) CHRM3ATMNTRK1JAK2MEN1
SCHEMBL303117 0.91 CHRM3 (0.47) CHRM3ATMIRAK4NTRK1MEN1
SCHEMBL29445380 0.91 CHRM3 (0.47) CHRM3ATMIRAK4NTRK1MEN1
SCHEMBL17892708 0.85 LMNA (0.40) CHRM3ATMNTRK1MEN1KMT2A
SCHEMBL16617799 0.83 CHRM3 (0.44) CHRM3ATMIRAK4NTRK1MEN1
SCHEMBL4109482 0.82 CHRM3 (0.49) CHRM3ATMNTRK1JAK2LMNA
SCHEMBL1086034 0.81 ATM (0.43) CHRM3ATMNTRK1JAK2MEN1
SCHEMBL304006 0.81 ATM (0.47) CHRM3ATMIRAK4MEN1KMT2A

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-3439469-A1 FORMULATIONS AND METHODS FOR CONTROLLING ROOTWORM LARVAE FMC Corporation (US) 2019-02-13 EP disclosed
WO-2018169862-A1 METHODS FOR REDUCING THE VOLATILITY AND TOXICITY OF CLOMAZONE FMC CORPORATION (US) 2018-09-20 WO disclosed
WO-2017176945-A1 FORMULATIONS AND METHODS FOR CONTROLLING ROOTWORM LARVAE FMC CORPORATION (US) 2017-10-12 WO disclosed